Geometry & MOs

Info

ID:	148307
PubChem CID:	53787969
Reduced:	NCl2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	602.230453
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	2.05
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(phenylmethoxy)phenyl]-3-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(OC(=CN)C1)OC(CC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations