Geometry & MOs

Info

ID:	432923
PubChem CID:	135173060
Reduced:	N4H26C39 (1)
Stoich.:	A4B26C39 (1)
Weight, g/mol:	492.235933
ΔH_f, kcal/mol:	224.61
Dipole, Da:	2.36
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O,4-O-bis(4-ethenoxybutyl) 2-O-(4-methoxybutyl) benzene-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5C(C4=CC=C3)(C6=CC=CC=C6)C7=CN=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations