Geometry & MOs

Info

ID:	28981
PubChem CID:	830970
Reduced:	N2O2H12C17 (1)
Stoich.:	A2B2C12D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	7.22
Dipole, Da:	3.27
IP(EA), eV:	-8.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (10bR)-2,4-dimethyl-5-oxo-3,10b-dihydrochromeno[3,4-c]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations