Geometry & MOs

Info

ID:	374387
PubChem CID:	131328027
Reduced:	ClSN2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	261.98048
ΔH_f, kcal/mol:	-7.82
Dipole, Da:	7.03
IP(EA), eV:	-8.29(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(difluoromethyl)-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2CCCN(C2)C)CCl

DOS

IR

Vibrations