Geometry & MOs

Info

ID:	121100
PubChem CID:	50755897
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	327.077454
ΔH_f, kcal/mol:	23.61
Dipole, Da:	2.52
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)C#N

DOS

IR

Vibrations