Geometry & MOs

Info

ID:	220264
PubChem CID:	85177182
Reduced:	BrO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	239.085875
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	5.32
IP(EA), eV:	-9.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(phenylhydrazinylidene)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCC(C2C1OC=CC2=O)Br

DOS

IR

Vibrations