Geometry & MOs

Info

ID:	343882
PubChem CID:	127267058
Reduced:	BrN2O2F3H8C9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	334.98811
ΔH_f, kcal/mol:	-216.38
Dipole, Da:	1.92
IP(EA), eV:	-9.75(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(1-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

CNC(=O)CN1C=C(C(=CC1=O)C(F)(F)F)Br

DOS

IR

Vibrations