Geometry & MOs

Info

ID:	385132
PubChem CID:	134978378
Reduced:	NPO6H24C25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	462.225368
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	12.04
IP(EA), eV:	-9.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetraethyl cyclotrideca-3,8-diyne-1,1,6,6-tetracarboxylate

Drug info:

PubChemData

Smile

CC[NH2+]CC.C1=CC=C2C(=C1)C(=O)O[P-]234(C5=CC=CC=C5C(=O)O3)C6=CC=CC=C6C(=O)O4

DOS

IR

Vibrations