Geometry & MOs

Info

ID:	271963
PubChem CID:	103707191
Reduced:	BrFON2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	343.12593
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	3.25
IP(EA), eV:	-10.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC#N)C(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations