Geometry & MOs

Info

ID:	253951
PubChem CID:	103121786
Reduced:	ON5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	64.89
Dipole, Da:	6.67
IP(EA), eV:	-9.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-cyclohexyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=NOC(=N1)C2=NN(C=C2)C)N

DOS

IR

Vibrations