Geometry & MOs

Info

ID:	173990
PubChem CID:	75709338
Reduced:	ClN2O2C27H37 (1)
Stoich.:	AB2C2D27E37 (1)
Weight, g/mol:	482.270006
ΔH_f, kcal/mol:	-109.02
Dipole, Da:	7.28
IP(EA), eV:	-9.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=C(C=C(C=C1)C)C)C(=O)NC(C)(C)C)C(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations