Geometry & MOs

Info

ID:	247771
PubChem CID:	103073197
Reduced:	NSC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	18.26
Dipole, Da:	0.98
IP(EA), eV:	-8.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylazepan-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCN(CC1CC1)CC(=C)CS

DOS

IR

Vibrations