Geometry & MOs

Info

ID:	249210
PubChem CID:	103087751
Reduced:	SN4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	299.15307
ΔH_f, kcal/mol:	52.79
Dipole, Da:	8.14
IP(EA), eV:	-8.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=C(C=C2)NCCCCSC

DOS

IR

Vibrations