Geometry & MOs

Info

ID:	51825
PubChem CID:	12014576
Reduced:	NP2Br4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	500.198759
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	9.01
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylbenzoyl)-6-(2,5-dimethylphenyl)-3,5-diphenylpyran-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=C2C)P(Br)Br)P(Br)Br)C

DOS

IR

Vibrations