Geometry & MOs

Info

ID:	174007
PubChem CID:	75711993
Reduced:	N3O6C26H35 (1)
Stoich.:	A3B6C26D35 (1)
Weight, g/mol:	442.238706
ΔH_f, kcal/mol:	-161.82
Dipole, Da:	8.22
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-2-chloro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC(=C(C=C1)O)OC)C(=O)NCCCC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations