Geometry & MOs

Info

ID:	207332
PubChem CID:	80379935
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	5.72
IP(EA), eV:	-9.29(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)C2=NNC(=N2)C(C)(C)C

DOS

IR

Vibrations