Geometry & MOs

Info

ID:	65993
PubChem CID:	46484903
Reduced:	BrON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	443.159354
ΔH_f, kcal/mol:	39.66
Dipole, Da:	5.39
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)N3C=CC=N3)Br

DOS

IR

Vibrations