Geometry & MOs

Info

ID:	373857
PubChem CID:	131320709
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	4.26
IP(EA), eV:	-10.75(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(C=C1)C#N)C(=O)O

DOS

IR

Vibrations