Geometry & MOs

Info

ID:	431799
PubChem CID:	135171905
Reduced:	N3O3C25H37 (1)
Stoich.:	A3B3C25D37 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	3.89
IP(EA), eV:	-8.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[2-(methoxymethyl)-1,3-oxazol-5-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=NC=C(C=C2)COC

DOS

IR

Vibrations