Geometry & MOs

Info

ID:	293434
PubChem CID:	117388678
Reduced:	SN2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	254.111836
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	6.17
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluoro-3-methylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=CC=C(C=C1)C2=NOC(=C2)N

DOS

IR

Vibrations