Geometry & MOs

Info

ID:

215720

PubChem CID:

85085147

Reduced:

Cl4N4O4C73H120 (1)

Stoich.:

A4B4C4D73E120 (1)

Weight, g/mol:

1112.899658

ΔHf, kcal/mol:

-292.98

Dipole, Da:

12.04

IP(EA), eV:

 -7.98(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-[3-[4-[3-[(3,4-dimethoxyphenyl)methylamino]propyl]piperazin-1-yl]propyl]-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCN(CCCN1CCN(CC1)CCCNCC2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC)C)C)C)C)C)C)C)C)C.Cl.Cl.Cl.Cl

DOS

IR

Vibrations