Geometry & MOs

Info

ID:	290058
PubChem CID:	104405073
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	5.71
IP(EA), eV:	-8.19(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=CC=C(C=C2)N

DOS

IR

Vibrations