Geometry & MOs

Info

ID:	247780
PubChem CID:	103073221
Reduced:	SN2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	2.86
Dipole, Da:	2.05
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclohexyl(ethyl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)CC(=C)CS

DOS

IR

Vibrations