Geometry & MOs

Info

ID:	296242
PubChem CID:	117562377
Reduced:	N3C12H23 (1)
Stoich.:	A3B12C23 (1)
Weight, g/mol:	248.108026
ΔH_f, kcal/mol:	6.33
Dipole, Da:	4.85
IP(EA), eV:	-8.78(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-methylanilino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCCNC1CCC(CC1)C#N

DOS

IR

Vibrations