Geometry & MOs

Info

ID:	222456
PubChem CID:	85300774
Reduced:	N2O7C15H16 (1)
Stoich.:	A2B7C15D16 (1)
Weight, g/mol:	332.100836
ΔH_f, kcal/mol:	-201.56
Dipole, Da:	6.83
IP(EA), eV:	-10.24(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-7a-hydroxy-2-methyl-4-(4-nitrophenyl)-1,4,4a,7-tetrahydrofuro[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC(=O)C1CC(=O)NC(C1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations