Geometry & MOs

Info

ID:	318776
PubChem CID:	126653109
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	2.55
IP(EA), eV:	-10.05(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-methyl-1,2,4-triazol-3-yl)oxy]propanoate

Drug info:

PubChemData

Smile

CN1C=NC(=N1)COCC(=O)OC

DOS

IR

Vibrations