Geometry & MOs

Info

ID:	202154
PubChem CID:	79636539
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	268.160935
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	2.97
IP(EA), eV:	-8.87(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-(oxan-4-ylsulfanyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)OC2=CC=CC=C2)C#N

DOS

IR

Vibrations