Geometry & MOs

Info

ID:	1551
PubChem CID:	4680
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	3.43
IP(EA), eV:	-8.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations