Geometry & MOs

Info

ID:

177297

PubChem CID:

76163843

Reduced:

O3N4C24H30 (2)

Stoich.:

A3B4C24D30 (2)

Weight, g/mol:

972.475878

ΔHf, kcal/mol:

-174.25

Dipole, Da:

10.48

IP(EA), eV:

 -8.24(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(hydroxymethyl)-6-oxo-7-prop-1-enyl-N-(2-pyridin-4-ylethyl)-1-(pyrimidin-5-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C2N1CC4=CC=CC=N4)CO.CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C2N1CC4=CC=CC=N4)CO

DOS

IR

Vibrations