Geometry & MOs

Info

ID:	198555
PubChem CID:	79118853
Reduced:	N4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	297.145282
ΔH_f, kcal/mol:	22.84
Dipole, Da:	4.97
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(methylamino)cyclohexyl]amino]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CNC1CCC(CC1)NC2=C(C=C3CCCCC3=N2)C#N

DOS

IR

Vibrations