Geometry & MOs

Info

ID:	168777
PubChem CID:	75018158
Reduced:	N3O4C38H43 (1)
Stoich.:	A3B4C38D43 (1)
Weight, g/mol:	593.408024
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	4.05
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]octadec-9-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(CCCC3=CC=C(C=C3)C4=CC=CC=C4)CC(=O)NO

DOS

IR

Vibrations