Geometry & MOs

Info

ID:	388690
PubChem CID:	134989891
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	136.51
Dipole, Da:	2.09
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-1-cyclohexyltriazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)N2N=C3C=CC=CC3=N2

DOS

IR

Vibrations