Geometry & MOs

Info

ID:	369107
PubChem CID:	127331276
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	7.18
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4C

DOS

IR

Vibrations