Geometry & MOs

Info

ID:	247196
PubChem CID:	103068627
Reduced:	ClSN2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	237.129969
ΔH_f, kcal/mol:	30.24
Dipole, Da:	1.86
IP(EA), eV:	-8.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=C(C=CC=N1)Cl

DOS

IR

Vibrations