Geometry & MOs

Info

ID:	374809
PubChem CID:	131347220
Reduced:	SN2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	294.92111
ΔH_f, kcal/mol:	40.56
Dipole, Da:	3.16
IP(EA), eV:	-9.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C/C(=C\CCN)/C1=CC=NS1

DOS

IR

Vibrations