Geometry & MOs

Info

ID:	287060
PubChem CID:	104231739
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-109.85
Dipole, Da:	3.34
IP(EA), eV:	-9.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C(=CC=C2)OC)[C@H](C)O

DOS

IR

Vibrations