Geometry & MOs

Info

ID:	35438
PubChem CID:	7979873
Reduced:	ClN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	326.103335
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	1.79
IP(EA), eV:	-9.82(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations