Geometry & MOs

Info

ID:	169377
PubChem CID:	75096762
Reduced:	F3N4O5C21H21 (1)
Stoich.:	A3B4C5D21E21 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-292.11
Dipole, Da:	8.56
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(F)(F)F)OC3CCNC4C3NC(=O)N4

DOS

IR

Vibrations