Geometry & MOs

Info

ID:	303865
PubChem CID:	124490425
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	199.059306
ΔH_f, kcal/mol:	22.17
Dipole, Da:	6.01
IP(EA), eV:	-9.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-methoxycarbonyltriazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC1=CN(N=N1)CC2=CC=CC=C2)O

DOS

IR

Vibrations