Geometry & MOs

Info

ID:	343481
PubChem CID:	127266654
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	5.41
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(4-ethoxyphenyl)triazol-1-yl]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CN(N=N2)CC(=O)OC

DOS

IR

Vibrations