Geometry & MOs

Info

ID:	42453
PubChem CID:	8149572
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	4.2
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-(4-piperidin-1-ylanilino)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[C@]2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4Cl)O)N)CCO

DOS

IR

Vibrations