Geometry & MOs

Info

ID:	209423
PubChem CID:	80671679
Reduced:	BrIN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	355.00309
ΔH_f, kcal/mol:	46.9
Dipole, Da:	2.83
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methoxypropyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(CCBr)C1=NC=NC=C1I

DOS

IR

Vibrations