Geometry & MOs

Info

ID:	399778
PubChem CID:	135042575
Reduced:	FMnNH3C7 (1)
Stoich.:	ABCD3E7 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	118.76
Dipole, Da:	6.95
IP(EA), eV:	-8.51(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

Drug info:

PubChemData

Smile

C1=CC(=[C-]C(=C1)F)C#N.[Mn]

DOS

IR

Vibrations