Geometry & MOs

Info

ID:	253730
PubChem CID:	103120263
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	5.76
IP(EA), eV:	-9.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,3,5-trimethylpyrazol-4-yl)-2H-triazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CO)NC(=O)C1=NN(C=C1)C

DOS

IR

Vibrations