Geometry & MOs

Info

ID:	431788
PubChem CID:	135171894
Reduced:	ON2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	8.74
IP(EA), eV:	-8.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methylbutyl(2-methylpropyl)amino]-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations