Geometry & MOs

Info

ID:	15094
PubChem CID:	429323
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	3.2
IP(EA), eV:	-8.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(C=C2C(=N1)C3=CC(=C(C=C3)OC)OC)OC)OC

DOS

IR

Vibrations