Geometry & MOs

Info

ID:	7389
PubChem CID:	72351
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	7.74
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

DOS

IR

Vibrations