Geometry & MOs

Info

ID:	430785
PubChem CID:	135170852
Reduced:	ON2Cl3F3H4C9 (1)
Stoich.:	AB2C3D3E4F9 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-170.55
Dipole, Da:	1.86
IP(EA), eV:	-9.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1-N-benzyl-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C(Cl)(Cl)Cl

DOS

IR

Vibrations