Geometry & MOs

Info

ID:	247804
PubChem CID:	103073304
Reduced:	NOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	1.35
IP(EA), eV:	-8.76(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1COCCN1CC(=C)CS

DOS

IR

Vibrations