Geometry & MOs

Info

ID:	253646
PubChem CID:	103119728
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	6.51
IP(EA), eV:	-9.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=N1)C(=O)O)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations