Geometry & MOs

Info

ID:	252792
PubChem CID:	103114184
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-194.45
Dipole, Da:	6.37
IP(EA), eV:	-9.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(2-amino-2-oxoethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=C(C(=O)NC1=O)C(C)C)O

DOS

IR

Vibrations