Geometry & MOs

Info

ID:	85445
PubChem CID:	49875251
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	186.079313
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	4.01
IP(EA), eV:	-9.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-oxo-7,8-dihydro-6H-quinolin-6-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=N1)COC

DOS

IR

Vibrations