Geometry & MOs

Info

ID:	285253
PubChem CID:	104098816
Reduced:	OSN5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	48.71
Dipole, Da:	3.71
IP(EA), eV:	-9.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5-trimethyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=CC(=CS2)C(=O)N

DOS

IR

Vibrations