Geometry & MOs

Info

ID:	391202
PubChem CID:	135003518
Reduced:	NPO5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-245.97
Dipole, Da:	4.93
IP(EA), eV:	-9.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4aS,5R,10bS)-9-acetamido-3-acetyl-1-methyl-4a,5,6,10b-tetrahydro-4H-benzo[h][1,6]naphthyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C1=CC=CC=C1)NC(CC2=CC=CC=C2)C(=O)O)OCC

DOS

IR

Vibrations