Geometry & MOs

Info

ID:	414746
PubChem CID:	135087707
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2CCN(CC2)CC3=NOC(=N3)COC

DOS

IR

Vibrations