Geometry & MOs

Info

ID:	253504
PubChem CID:	103118870
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	244.117155
ΔH_f, kcal/mol:	-128.29
Dipole, Da:	5.39
IP(EA), eV:	-10.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-hydroxy-3-methoxypropyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations