Geometry & MOs

Info

ID:	201418
PubChem CID:	79537689
Reduced:	OSN6C12H12 (1)
Stoich.:	ABC6D12E12 (1)
Weight, g/mol:	292.212633
ΔH_f, kcal/mol:	124.27
Dipole, Da:	4.11
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-piperidin-2-ylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC1C2=C(N=NN2CC3=NN=C(O3)C4=CC=CS4)N

DOS

IR

Vibrations