Geometry & MOs

Info

ID:	276726
PubChem CID:	103824815
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	2.27
IP(EA), eV:	-10.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-methoxyethyl(1H-1,2,4-triazole-5-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCN(CC(=O)OCC)C(=O)C1=NC=NN1

DOS

IR

Vibrations