Geometry & MOs

Info

ID:	53410
PubChem CID:	14714941
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	-132.48
Dipole, Da:	3.57
IP(EA), eV:	-9.42(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(4-nitrophenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)OC(C)C)O

DOS

IR

Vibrations