Geometry & MOs

Info

ID:	204850
PubChem CID:	80019684
Reduced:	NS2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	297.158492
ΔH_f, kcal/mol:	5.96
Dipole, Da:	2.54
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cycloheptyl]methanethiol

Drug info:

PubChemData

Smile

CCC(CN(CC)CC1=CC=CS1)CS

DOS

IR

Vibrations