Geometry & MOs

Info

ID:	271140
PubChem CID:	103645067
Reduced:	N4C9H22 (1)
Stoich.:	A4B9C22 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	0.68
Dipole, Da:	1.45
IP(EA), eV:	-8.81(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-propan-2-ylcyclohexyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNC(=NC)N

DOS

IR

Vibrations