Geometry & MOs

Info

ID:	131019
PubChem CID:	51145750
Reduced:	Cl2N2O4H10C13 (1)
Stoich.:	A2B2C4D10E13 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	3.15
IP(EA), eV:	-9.91(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations