Geometry & MOs

Info

ID:	51741
PubChem CID:	12014470
Reduced:	OH4C5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	667.90203
ΔH_f, kcal/mol:	-102.43
Dipole, Da:	3.82
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis[4-(bromomethyl)benzoyl]phenyl]-[4-(bromomethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)OCC2=CC(=CC(=C2)COC3=CC=C(C=C3)C=O)COC4=CC=C(C=C4)C=O

DOS

IR

Vibrations