Geometry & MOs

Info

ID:	121451
PubChem CID:	50768416
Reduced:	ClN3H12C17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	321.103275
ΔH_f, kcal/mol:	89.93
Dipole, Da:	4.12
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)Cl

DOS

IR

Vibrations