Geometry & MOs

Info

ID:	426689
PubChem CID:	135153376
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	4.7
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(6-cyanopyridin-3-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)C#N

DOS

IR

Vibrations