Geometry & MOs

Info

ID:

66438

PubChem CID:

46504574

Reduced:

N3O6C33H41 (1)

Stoich.:

A3B6C33D41 (1)

Weight, g/mol:

636.271463

ΔHf, kcal/mol:

-179.1

Dipole, Da:

10.29

IP(EA), eV:

 -8.08(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC(=C(C=C3)OC)OC)C4=CC=CC(=C4)C

DOS

IR

Vibrations