Geometry & MOs

Info

ID:	268239
PubChem CID:	103598552
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	314.141913
ΔH_f, kcal/mol:	-12.5
Dipole, Da:	4.67
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylcyclopropyl)-3-quinolin-8-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)OCCNC(=O)C3=CC=NC=C3

DOS

IR

Vibrations