Geometry & MOs

Info

ID:	416257
PubChem CID:	135089269
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-126.1
Dipole, Da:	2.44
IP(EA), eV:	-9.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(quinoline-3-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(C)(C)C(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC=C2

DOS

IR

Vibrations