Geometry & MOs

Info

ID:	436481
PubChem CID:	135203743
Reduced:	N3O7H37C40 (1)
Stoich.:	A3B7C37D40 (1)
Weight, g/mol:	312.089878
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	4.85
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-di(indolizin-3-yl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)C(C4=CC=CC=C4)NC(=O)O)CNCC(C5=C6C=CC(=O)NC6=C(C=C5)O)O

DOS

IR

Vibrations