Geometry & MOs

Info

ID:	167091
PubChem CID:	74779196
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	413.279075
ΔH_f, kcal/mol:	3.0
Dipole, Da:	3.82
IP(EA), eV:	-8.57(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-1-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C#N)NC(=O)CN(C)CC2=NC(=O)C3C=CC=CC3=N2)C

DOS

IR

Vibrations