Geometry & MOs

Info

ID:	48524
PubChem CID:	11077531
Reduced:	NPO7C11H14 (1)
Stoich.:	ABC7D11E14 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-274.43
Dipole, Da:	5.27
IP(EA), eV:	-11.03(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-5-phenylpentane-1,3,5-trione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations