Geometry & MOs

Info

ID:	154154
PubChem CID:	56313555
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	455.06447
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	2.63
IP(EA), eV:	-9.39(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(4-fluorophenyl)butanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations