Geometry & MOs

Info

ID:	432109
PubChem CID:	135172241
Reduced:	O3N6C19H32 (1)
Stoich.:	A3B6C19D32 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-10.77
Dipole, Da:	4.25
IP(EA), eV:	-8.82(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)C/C(=N/N)/NN)[N+](=O)[O-]

DOS

IR

Vibrations