Geometry & MOs

Info

ID:	37734
PubChem CID:	8023811
Reduced:	FO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	426.240624
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	6.93
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-(2-hydroxy-6-oxo-4-propylcyclohexen-1-yl)-(4-methoxyphenyl)methyl]-5-propylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C[C@@](C#N)(C1CC1)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

DOS

IR

Vibrations