Geometry & MOs

Info

ID:	6897
PubChem CID:	70416
Reduced:	N3C20H23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	305.189198
ΔH_f, kcal/mol:	63.75
Dipole, Da:	3.61
IP(EA), eV:	-8.58(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(3-methylanilino)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2(CCN(CC2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations