Geometry & MOs

Info

ID:	174091
PubChem CID:	75722691
Reduced:	ClN2O4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	406.121483
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	6.92
IP(EA), eV:	-8.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(2-chloro-N-(2-chloroacetyl)anilino)-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations