Geometry & MOs

Info

ID:	287061
PubChem CID:	104231740
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	6.5
IP(EA), eV:	-9.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=NC(=N2)C(=O)OC)O

DOS

IR

Vibrations