Geometry & MOs

Info

ID:	227157
PubChem CID:	87560383
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	542.164893
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	2.72
IP(EA), eV:	-8.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-2-hydroxybutanedioic acid;[(3E)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indol-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC=CC=C1C(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations