Geometry & MOs

Info

ID:	431789
PubChem CID:	135171895
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	5.52
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NOC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations