Geometry & MOs

Info

ID:	6894
PubChem CID:	70411
Reduced:	N3C19H27 (1)
Stoich.:	A3B19C27 (1)
Weight, g/mol:	297.220498
ΔH_f, kcal/mol:	27.03
Dipole, Da:	3.22
IP(EA), eV:	-9.12(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2(CCN(CC2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations