Geometry & MOs

Info

ID:	66087
PubChem CID:	46491054
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	8.15
IP(EA), eV:	-9.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3)C

DOS

IR

Vibrations