Geometry & MOs

Info

ID:	252962
PubChem CID:	103115178
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	43.95
Dipole, Da:	5.11
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations