Geometry & MOs

Info

ID:	321566
PubChem CID:	126666620
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	302.134303
ΔH_f, kcal/mol:	65.13
Dipole, Da:	1.53
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC=C5

DOS

IR

Vibrations