Geometry & MOs

Info

ID:	391011
PubChem CID:	135002219
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	3.48
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl (4aS,5S,10bS)-7-hydroxy-1-methyl-4a,5,6,10b-tetrahydro-4H-benzo[h][1,6]naphthyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2C[C@H](NC3=CC=CC=C23)C4=CC=CO4

DOS

IR

Vibrations