Geometry & MOs

Info

ID:	413135
PubChem CID:	135086079
Reduced:	NPO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	412.136947
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 1,11-dihydroxyundeca-2,9-diyne-4,4,6,6-tetracarboxylate

Drug info:

PubChemData

Smile

CC12C=CC(P1(=O)C3=CC=CC=C3)C4C2C(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations