Geometry & MOs

Info

ID:	287885
PubChem CID:	104297392
Reduced:	BrFNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	321.07283
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	3.94
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2,2-dicyclopropylethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)O)F)Br

DOS

IR

Vibrations