Geometry & MOs

Info

ID:	252954
PubChem CID:	103115147
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	6.95
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2,3-dimethylbutyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C)O

DOS

IR

Vibrations