Geometry & MOs

Info

ID:	369139
PubChem CID:	127331372
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	8.6
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NC3CCC4=NC(=CN4C3)C(C)(C)C

DOS

IR

Vibrations