Geometry & MOs

Info

ID:	418484
PubChem CID:	135105155
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	7.33
IP(EA), eV:	-9.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations