Geometry & MOs

Info

ID:

234172

PubChem CID:

92297861

Reduced:

O5N8C27H28 (1)

Stoich.:

A5B8C27D28 (1)

Weight, g/mol:

544.218266

ΔHf, kcal/mol:

23.37

Dipole, Da:

11.61

IP(EA), eV:

 -8.9(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)[C@H](C3=CC4=CC5=C(C=C4NC3=O)OCO5)N6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]

DOS

IR

Vibrations