Geometry & MOs

Info

ID:

66421

PubChem CID:

46504546

Reduced:

FN3O5H34C36 (1)

Stoich.:

AB3C5D34E36 (1)

Weight, g/mol:

557.30537

ΔHf, kcal/mol:

-128.8

Dipole, Da:

7.43

IP(EA), eV:

 -8.78(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations