Geometry & MOs

Info

ID:	252948
PubChem CID:	103115097
Reduced:	O4N7C10H11 (1)
Stoich.:	A4B7C10D11 (1)
Weight, g/mol:	285.097423
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	4.62
IP(EA), eV:	-9.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC(=O)NC(=O)N)C(=O)O

DOS

IR

Vibrations