Geometry & MOs

Info

ID:	436158
PubChem CID:	135194229
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-171.8
Dipole, Da:	4.65
IP(EA), eV:	-9.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxymethyl]-2-[(4-pyridin-2-ylphenyl)methyl]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCC(CC1=CC=C(C=C1)C2=CN=CN=C2)(C(=O)O)C(=O)O

DOS

IR

Vibrations