Geometry & MOs

Info

ID:	23371
PubChem CID:	603225
Reduced:	BrN2O2F3H6C9 (1)
Stoich.:	AB2C2D3E6F9 (1)
Weight, g/mol:	309.95647
ΔH_f, kcal/mol:	-180.2
Dipole, Da:	3.11
IP(EA), eV:	-9.9(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-(2,2,2-trifluoroacetyl)benzohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NNC(=O)C(F)(F)F)Br

DOS

IR

Vibrations