Geometry & MOs

Info

ID:	6384
PubChem CID:	68363
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-136.06
Dipole, Da:	5.01
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations