Geometry & MOs

Info

ID:	293228
PubChem CID:	117377637
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	1.83
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-1-[2-(thian-4-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1(OC2=C(S1)C=CC(=C2)C3(CCCC3)N)C

DOS

IR

Vibrations