Geometry & MOs

Info

ID:	46295
PubChem CID:	10523770
Reduced:	NO5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-134.56
Dipole, Da:	4.16
IP(EA), eV:	-8.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-5-(3-cyclohexylpropanoylamino)-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C=C(\C)/C=C/[C@H]1CCC[C@@H]1OC(=O)CO[N+](=O)[O-]

DOS

IR

Vibrations