Geometry & MOs

Info

ID:	132132
PubChem CID:	51311407
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	3.72
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyanopyridin-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1=C(C=CO1)COC2=CC=CC=C2

DOS

IR

Vibrations