Geometry & MOs

Info

ID:	18807
PubChem CID:	548514
Reduced:	BrOF3N3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	358.98811
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	6.69
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C=NNC2=NC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations