Geometry & MOs

Info

ID:	204622
PubChem CID:	79989293
Reduced:	NOSC12H21 (1)
Stoich.:	ABCD12E21 (1)
Weight, g/mol:	229.095892
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	2.18
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropylsulfanyl)-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CCCOC)C1=C(C=CS1)C

DOS

IR

Vibrations