Geometry & MOs

Info

ID:	397455
PubChem CID:	135030240
Reduced:	ClO6H23C25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	412.107752
ΔH_f, kcal/mol:	-193.81
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-(2,6-dihydroxyphenyl)-3-methoxy-6-phenylmethoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1=C(C(=C(C=C1OCC2=CC=CC=C2)Cl)OC)C3=C(C=CC=C3OC(=O)C)O

DOS

IR

Vibrations