Geometry & MOs

Info

ID:	391950
PubChem CID:	135011270
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	333.092042
ΔH_f, kcal/mol:	40.48
Dipole, Da:	2.61
IP(EA), eV:	-8.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=C4N2C=CC=C4

DOS

IR

Vibrations