Geometry & MOs

Info

ID:	71109
PubChem CID:	48414299
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	4.86
IP(EA), eV:	-9.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations