Geometry & MOs

Info

ID:	397101
PubChem CID:	135029732
Reduced:	ON2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	19.96
Dipole, Da:	4.8
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9bR)-1-(3,4-dimethoxyphenyl)-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one

Drug info:

PubChemData

Smile

C1CN2C(C3=CC=CC=C31)C4=C(CC2=O)C5=CC=CC=C5N4

DOS

IR

Vibrations