Geometry & MOs

Info

ID:	419375
PubChem CID:	135108057
Reduced:	FNO3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	3.26
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(6-ethoxypyridin-3-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4F

DOS

IR

Vibrations