Geometry & MOs

Info

ID:	417425
PubChem CID:	135093631
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-151.72
Dipole, Da:	3.57
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations