Geometry & MOs

Info

ID:	44168
PubChem CID:	10501258
Reduced:	ClNO2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	402.121572
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	4.59
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[(1S,4R)-bicyclo[2.2.2]octa-2,5-diene-2-carbonyl]amino]-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCCOC1(C[NH+](C2CCCCC2O1)C)C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations