Geometry & MOs

Info

ID:	275299
PubChem CID:	103815015
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	3.9
IP(EA), eV:	-9.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NCCC(=O)NC(C)C1=NC=NN1

DOS

IR

Vibrations