Geometry & MOs

Info

ID:

168665

PubChem CID:

74999982

Reduced:

O5N7C32H43 (1)

Stoich.:

A5B7C32D43 (1)

Weight, g/mol:

419.141197

ΔHf, kcal/mol:

-155.37

Dipole, Da:

2.92

IP(EA), eV:

 -9.2(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-1-cyclopropyl-6-fluoro-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NN(CC1=CC=CC=C1)C(=O)C2CCCCC2C(=O)NC(CCCN=C(N)N)C(=O)C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations