Geometry & MOs

Info

ID:	287062
PubChem CID:	104231741
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	7.89
IP(EA), eV:	-9.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=NC(=N2)C(=O)OC)O

DOS

IR

Vibrations