Geometry & MOs

Info

ID:	204843
PubChem CID:	80016882
Reduced:	NOSC10H21 (1)
Stoich.:	ABCD10E21 (1)
Weight, g/mol:	271.233371
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	4.08
IP(EA), eV:	-8.56(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cycloheptyl]methanethiol

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)CCCS

DOS

IR

Vibrations