Geometry & MOs

Info

ID:	202152
PubChem CID:	79636471
Reduced:	SN2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	27.02
Dipole, Da:	2.65
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)SC2=CC=CC=C2)C#N

DOS

IR

Vibrations