Geometry & MOs

Info

ID:	142140
PubChem CID:	52988034
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	206.057053
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	3.89
IP(EA), eV:	-10.01(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1(CCC(=O)CC1)CO

DOS

IR

Vibrations