Geometry & MOs

Info

ID:	23795
PubChem CID:	606106
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	3.71
IP(EA), eV:	-10.49(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations