Geometry & MOs

Info

ID:	250631
PubChem CID:	103098010
Reduced:	BrOF2N3H6C10 (1)
Stoich.:	ABC2D3E6F10 (1)
Weight, g/mol:	296.072097
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	4.58
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoropyridin-3-yl)-1-ethyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1NC(=O)C2=CC(=CN2)Br)F)F

DOS

IR

Vibrations