Geometry & MOs

Info

ID:	216999
PubChem CID:	85087098
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	2.49
IP(EA), eV:	-8.55(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-methyl-4-phenyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=CC(=O)NC(=O)NC2=CC=CC(=C2)C)C

DOS

IR

Vibrations