Geometry & MOs

Info

ID:	253021
PubChem CID:	103115537
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	5.2
IP(EA), eV:	-9.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylimidazol-4-yl)-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)CN1C(=C(N=N1)C(=O)O)C2=CN=CN2C

DOS

IR

Vibrations