Geometry & MOs

Info

ID:	35439
PubChem CID:	7979874
Reduced:	ClN2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	326.103335
ΔH_f, kcal/mol:	-97.89
Dipole, Da:	2.07
IP(EA), eV:	-9.82(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations