Geometry & MOs

Info

ID:	61413
PubChem CID:	26709023
Reduced:	BrFON3H15C21 (1)
Stoich.:	ABCD3E15F21 (1)
Weight, g/mol:	409.05249
ΔH_f, kcal/mol:	17.3
Dipole, Da:	2.51
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-ethoxy-3-methoxyphenyl)-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=C(C=C(C=C3)Br)F)C4=CC=CC=C4

DOS

IR

Vibrations