Geometry & MOs

Info

ID:

180094

PubChem CID:

76575698

Reduced:

O2N7C28H41 (1)

Stoich.:

A2B7C28D41 (1)

Weight, g/mol:

529.374038

ΔHf, kcal/mol:

69.98

Dipole, Da:

11.9

IP(EA), eV:

 -8.02(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-N-[2-(diethylamino)ethyl]-7-methyl-5-oxo-1,2,3,4,4a,7a,8,9,10,11,11a,12a-dodecahydrobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C2CCCCC2N3C1=C(C(=O)C4C3NC(CC4)NCC5=CC=CC=N5)C(=O)NCCN6CCCC6

DOS

IR

Vibrations