Geometry & MOs

Info

ID:	133697
PubChem CID:	51576490
Reduced:	F2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	434.19048
ΔH_f, kcal/mol:	-306.15
Dipole, Da:	5.36
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)phenyl]-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)OC(F)F)C3=C(CC(CC3=O)(C)C)[O-])[O-])C

DOS

IR

Vibrations