Geometry & MOs

Info

ID:	281094
PubChem CID:	103852936
Reduced:	BrON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	49.21
Dipole, Da:	4.54
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=NC(=NO2)C3=CC=CC=C3N)Br

DOS

IR

Vibrations