Geometry & MOs

Info

ID:	35426
PubChem CID:	7979845
Reduced:	ClN2O4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	2.57
IP(EA), eV:	-9.79(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations