Geometry & MOs

Info

ID:	223367
PubChem CID:	85334920
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	42.68
Dipole, Da:	6.27
IP(EA), eV:	-8.57(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C3C(NON3)N)N=C2C=C1OC

DOS

IR

Vibrations