Geometry & MOs

Info

ID:

446515

PubChem CID:

135275591

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

512.336256

ΔHf, kcal/mol:

-78.64

Dipole, Da:

4.27

IP(EA), eV:

 -8.53(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-[(5E,7E)-9-amino-8-[amino(ethyl)amino]-3-methoxycarbonyl-5-methyldeca-5,7,9-trien-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)O)C2=CC3=C(CC4CCC3N4C(=O)C5=CC(=C(C=C5)C)C)C=C2)C)N)N

DOS

IR

Vibrations