Geometry & MOs

Info

ID:	276074
PubChem CID:	103820393
Reduced:	BrFON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	5.59
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-tert-butylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations