Geometry & MOs

Info

ID:	6895
PubChem CID:	70412
Reduced:	N3C19H21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	291.173548
ΔH_f, kcal/mol:	78.36
Dipole, Da:	3.6
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-1-benzylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations