Geometry & MOs

Info

ID:	314538
PubChem CID:	126622085
Reduced:	NO4C7H16 (1)
Stoich.:	AB4C7D16 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752255
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-3-propyl-3,4-dihydro-1H-quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOC(C(=O)O)O

DOS

IR

Vibrations