Geometry & MOs

Info

ID:	270098
PubChem CID:	103628122
Reduced:	ClINO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	351.02702
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	4.98
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)C(=O)NC3=C(C=C(C=C3)I)Cl

DOS

IR

Vibrations