Geometry & MOs

Info

ID:	253442
PubChem CID:	103118458
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	4.2
IP(EA), eV:	-9.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=N1)C(=O)OC)CCN

DOS

IR

Vibrations