Geometry & MOs

Info

ID:	173922
PubChem CID:	75700424
Reduced:	ClNOC12H18 (2)
Stoich.:	ABCD12E18 (2)
Weight, g/mol:	531.234491
ΔH_f, kcal/mol:	-138.01
Dipole, Da:	3.73
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C1CCCCC1)C(C2=C(C=CC=C2Cl)Cl)C(=O)NCCCC

DOS

IR

Vibrations