Geometry & MOs

Info

ID:	296849
PubChem CID:	117596545
Reduced:	O3C16H16 (2)
Stoich.:	A3B16C16 (2)
Weight, g/mol:	618.202046
ΔH_f, kcal/mol:	-192.21
Dipole, Da:	7.08
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone;propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O.COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

DOS

IR

Vibrations