Geometry & MOs

Info

ID:	407606
PubChem CID:	135080355
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	192.131429
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	1.82
IP(EA), eV:	-9.67(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(fluoromethyl)pent-1-en-3-yl]-3-methylbenzene

Drug info:

PubChemData

Smile

COC(=O)C1(CC(C1)F)C2=CC=CC=C2

DOS

IR

Vibrations