Geometry & MOs

Info

ID:	361225
PubChem CID:	127302180
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	6.0
IP(EA), eV:	-8.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations