Geometry & MOs

Info

ID:	293740
PubChem CID:	117398523
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	258.086764
ΔH_f, kcal/mol:	-29.49
Dipole, Da:	3.27
IP(EA), eV:	-8.87(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethyl)-3-fluorophenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)CCCN)OC

DOS

IR

Vibrations