Geometry & MOs

Info

ID:	373858
PubChem CID:	131320718
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	7.61
IP(EA), eV:	-10.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-(4-ethyl-2-nitrophenyl)propan-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)[N+](=O)[O-])C(C(=O)C)Cl

DOS

IR

Vibrations