Geometry & MOs

Info

ID:	373232
PubChem CID:	131311990
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	265.91678
ΔH_f, kcal/mol:	5.78
Dipole, Da:	2.24
IP(EA), eV:	-8.56(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-chloro-5-methoxy-2-methylsulfanylbenzene

Drug info:

PubChemData

Smile

C1CSCCC1C(CCC#N)N

DOS

IR

Vibrations