Geometry & MOs

Info

ID:	202802
PubChem CID:	79729334
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	200.121258
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	3.7
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-2-(4-propylcyclohexylidene)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)N2C=CC3=C2CCCC3O

DOS

IR

Vibrations