Geometry & MOs

Info

ID:	2167
PubChem CID:	6084
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	5.75
IP(EA), eV:	-8.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

DOS

IR

Vibrations