Geometry & MOs

Info

ID:	252986
PubChem CID:	103115322
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	278.112738
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.07
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-amino-2-oxoethyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCOC)C2=CN(N=C2)C

DOS

IR

Vibrations