Geometry & MOs

Info

ID:	307312
PubChem CID:	125299546
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	245.068808
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	6.72
IP(EA), eV:	-8.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR)-4-(furan-2-yl)-7-methyl-4,4a-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=NNC(=C3C=C(C(=CC3=O)C)C)C2

DOS

IR

Vibrations