Geometry & MOs

Info

ID:	45421
PubChem CID:	10513049
Reduced:	NO2F3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-204.16
Dipole, Da:	3.11
IP(EA), eV:	-10.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C[C@@H](C(=O)O)N)F)F)F

DOS

IR

Vibrations