Geometry & MOs

Info

ID:	6938
PubChem CID:	70568
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	32.99
Dipole, Da:	1.5
IP(EA), eV:	-8.94(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C#N

DOS

IR

Vibrations