Geometry & MOs

Info

ID:	180009
PubChem CID:	76566650
Reduced:	O2N4H12C19 (2)
Stoich.:	A2B4C12D19 (2)
Weight, g/mol:	276.084517
ΔH_f, kcal/mol:	228.07
Dipole, Da:	13.53
IP(EA), eV:	-8.93(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-2-oxoethylidene]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC2=CNC3=CC4=NC=C5C=CC=CC5=NC(=O)C(=O)N=C6C=CC=CC6=CNC4=CC3=NC=C7C=CC=CC7=NC(=O)C(=O)N=C2C=C1

DOS

IR

Vibrations