Geometry & MOs

Info

ID:	197815
PubChem CID:	79003547
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	297.145282
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	5.04
IP(EA), eV:	-10.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CCCCNC(=O)C1=CC(=NC(=C1)Cl)Cl

DOS

IR

Vibrations