Geometry & MOs

Info

ID:	81878
PubChem CID:	49855290
Reduced:	ClSO4N5H20C24 (1)
Stoich.:	ABC4D5E20F24 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	6.96
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)N2C(=O)COC3=C2C=CC(=C3)NC(=O)N/N=C/C4=CC=C(C=C4)Cl

DOS

IR

Vibrations