Geometry & MOs

Info

ID:	248541
PubChem CID:	103082467
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	342.02152
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	4.03
IP(EA), eV:	-9.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methoxycyclopentyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations