Geometry & MOs

Info

ID:	281069
PubChem CID:	103852728
Reduced:	BrNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	321.01645
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	5.56
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC(=C2Br)C

DOS

IR

Vibrations