Geometry & MOs

Info

ID:	81879
PubChem CID:	49855295
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	353.142722
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C3=C(CN(CC3)CC4=CC=C(C=C4)C)C(=O)O2

DOS

IR

Vibrations