Geometry & MOs

Info

ID:

46049

PubChem CID:

10520772

Reduced:

ClN2C18H20 (1)

Stoich.:

AB2C18D20 (1)

Weight, g/mol:

335.115758

ΔHf, kcal/mol:

43.77

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.876946

Charge, e:

 0

Chem-info

IUPAC name:

3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC[N+](=C2CC(CN3C2=CC=C3)C4=CC=C(C=C4)Cl)C1

DOS

IR

Vibrations