Geometry & MOs

Info

ID:	247765
PubChem CID:	103073187
Reduced:	SN2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	5.56
Dipole, Da:	3.45
IP(EA), eV:	-8.68(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-dimethylazepan-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(C)CCCN(C)CC(=C)CS

DOS

IR

Vibrations