Geometry & MOs

Info

ID:	263921
PubChem CID:	103407759
Reduced:	ClSN3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	251.017163
ΔH_f, kcal/mol:	27.78
Dipole, Da:	5.36
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(4-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCCNC(CCC1=CC=NN1C)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations