Geometry & MOs

Info

ID:	253619
PubChem CID:	103119603
Reduced:	O2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	65.93
Dipole, Da:	5.21
IP(EA), eV:	-7.57(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=NC(=O)C2=CNN3C2=CNC=C3

DOS

IR

Vibrations