Geometry & MOs

Info

ID:	294609
PubChem CID:	117473601
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	291.9302
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	2.61
IP(EA), eV:	-8.62(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)OC)C2(CCCCC2)CN

DOS

IR

Vibrations