Geometry & MOs

Info

ID:	373219
PubChem CID:	131311759
Reduced:	BrNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	196.02842
ΔH_f, kcal/mol:	-195.07
Dipole, Da:	3.61
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-(hydroxymethyl)-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)OC(F)(F)F)C)CBr

DOS

IR

Vibrations