Geometry & MOs

Info

ID:

335661

PubChem CID:

127254523

Reduced:

ClN3O6H24C30 (1)

Stoich.:

AB3C6D24E30 (1)

Weight, g/mol:

484.211055

ΔHf, kcal/mol:

-134.34

Dipole, Da:

6.34

IP(EA), eV:

 -8.44(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2[C@H]3[C@@H](C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)CC6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations