Geometry & MOs

Info

ID:	252955
PubChem CID:	103115150
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-58.85
Dipole, Da:	4.4
IP(EA), eV:	-9.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-methylpropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(CN1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C)O

DOS

IR

Vibrations