Geometry & MOs

Info

ID:	321561
PubChem CID:	126666615
Reduced:	ON2F3H3C6 (1)
Stoich.:	AB2C3D3E6 (1)
Weight, g/mol:	332.108482
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.99
IP(EA), eV:	-11.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-difluorocyclohexyl)amino]-3-nitroquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C1=C(ON=C1CC#N)C(F)(F)F

DOS

IR

Vibrations