Geometry & MOs

Info

ID:

188427

PubChem CID:

77716343

Reduced:

NO6C21H31 (1)

Stoich.:

AB6C21D31 (1)

Weight, g/mol:

676.2049

ΔHf, kcal/mol:

-282.94

Dipole, Da:

1.78

IP(EA), eV:

 -9.19(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[1-(5-bromo-2-oxo-1H-indol-3-ylidene)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-1-yl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C(CC1=CC=CC=C1)C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations