Geometry & MOs

Info

ID:	202149
PubChem CID:	79636468
Reduced:	SN2C14H26 (1)
Stoich.:	AB2C14D26 (1)
Weight, g/mol:	296.115876
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	5.79
IP(EA), eV:	-8.48(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)sulfanyl-1-(ethylamino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CSC1CCCC(C1)(C#N)NC(C)C

DOS

IR

Vibrations