Geometry & MOs

Info

ID:	340895
PubChem CID:	127263330
Reduced:	BrClN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	420.105958
ΔH_f, kcal/mol:	-8.49
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-fluoro-5-nitrophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CNC2=C(CN1)C=C(C=C2)Br.Cl

DOS

IR

Vibrations