Geometry & MOs

Info

ID:	271183
PubChem CID:	103646865
Reduced:	ISN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	2.79
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations