Geometry & MOs

Info

ID:	219225
PubChem CID:	85096610
Reduced:	PN2O5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	466.178024
ΔH_f, kcal/mol:	-187.68
Dipole, Da:	3.56
IP(EA), eV:	-8.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(phenylmethoxy)phenyl]-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)O)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations