Geometry & MOs

Info

ID:	449127
PubChem CID:	135296190
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	221.060055
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	6.98
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-methyl-5-(triazol-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=C(C=N2)C)C(=O)O

DOS

IR

Vibrations