Geometry & MOs

Info

ID:	253117
PubChem CID:	103116140
Reduced:	O2N7C12H13 (1)
Stoich.:	A2B7C12D13 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	41.5
Dipole, Da:	5.21
IP(EA), eV:	-9.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C(=C(N=N2)C(=O)O)C3=NC=CN3C

DOS

IR

Vibrations