Geometry & MOs

Info

ID:	156399
PubChem CID:	56370450
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	6.67
IP(EA), eV:	-7.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-2-phenylpentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations