Geometry & MOs

Info

ID:	244814
PubChem CID:	99381489
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	4.47
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2S)-2-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC[C@@H]2CC(=O)N)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations