Geometry & MOs

Info

ID:	372280
PubChem CID:	131295454
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	5.01
IP(EA), eV:	-9.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-(difluoromethoxy)-5-fluorophenyl]acetonitrile

Drug info:

PubChemData

Smile

CC[C@](C1=CC=CC=C1Br)(C(=O)O)N

DOS

IR

Vibrations