Geometry & MOs

Info

ID:

177301

PubChem CID:

76164355

Reduced:

F3N3O3C20H26 (2)

Stoich.:

A3B3C3D20E26 (2)

Weight, g/mol:

413.192626

ΔHf, kcal/mol:

-573.18

Dipole, Da:

9.16

IP(EA), eV:

 -8.23(-0.97)

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

CCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C2N1CCC(F)(F)F)CO.CCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C2N1CCC(F)(F)F)CO

DOS

IR

Vibrations