Geometry & MOs

Info

ID:

177298

PubChem CID:

76163964

Reduced:

ON2C9H10 (6)

Stoich.:

AB2C9D10 (6)

Weight, g/mol:

498.226705

ΔHf, kcal/mol:

-67.53

Dipole, Da:

7.65

IP(EA), eV:

 -8.64(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4=CN=CN=C4)C(=O)NCCC5=CC=NC=C5)CO.CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4=CN=CN=C4)C(=O)NCCC5=CC=NC=C5)CO

DOS

IR

Vibrations