Geometry & MOs

Info

ID:

56720

PubChem CID:

22389030

Reduced:

N4O4C31H34 (1)

Stoich.:

A4B4C31D34 (1)

Weight, g/mol:

432.14337

ΔHf, kcal/mol:

-90.73

Dipole, Da:

2.04

IP(EA), eV:

 -8.54(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2CCC1CN(C2)CCN3CC(=O)N4C(C3=O)CC5=C(C4C6=CC7=C(C=C6)OCO7)NC8=CC=CC=C58

DOS

IR

Vibrations