Geometry & MOs

Info

ID:	315538
PubChem CID:	126627522
Reduced:	F2N3O4H27C30 (1)
Stoich.:	A2B3C4D27E30 (1)
Weight, g/mol:	230.148222
ΔH_f, kcal/mol:	-154.56
Dipole, Da:	3.29
IP(EA), eV:	-8.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-2-methylbut-3-en-2-yl)-1-methylcyclohexane-1-carbonyl fluoride

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3NC=C(O3)CC4=CC=C(C=C4)F)C(=C1CC(=O)O)C5=CC(=C6C(=C5C)CCCO6)F

DOS

IR

Vibrations