Geometry & MOs

Info

ID:

177300

PubChem CID:

76164301

Reduced:

F3N3O3C26H30 (1)

Stoich.:

A3B3C3D26E30 (1)

Weight, g/mol:

826.385252

ΔHf, kcal/mol:

-167.91

Dipole, Da:

3.91

IP(EA), eV:

 -8.87(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-3-(hydroxymethyl)-6-oxo-7-prop-1-enyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2C(C3CN4C(=CC=C(C4=O)C5=CC=CC=C5)C2N3CCC(F)(F)F)CO

DOS

IR

Vibrations