Geometry & MOs

Info

ID:	253155
PubChem CID:	103116386
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	4.46
Dipole, Da:	5.32
IP(EA), eV:	-9.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3CCC3)C(=O)O

DOS

IR

Vibrations