Geometry & MOs

Info

ID:	253025
PubChem CID:	103115558
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	5.84
IP(EA), eV:	-9.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CN1C(=C(N=N1)C(=O)O)C2=CN=CN2C

DOS

IR

Vibrations