Geometry & MOs

Info

ID:	141040
PubChem CID:	52807834
Reduced:	ClNO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	3.45
IP(EA), eV:	-9.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-methyl-3-(phenylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1OCCNC(=O)CCl

DOS

IR

Vibrations