Geometry & MOs

Info

ID:	419994
PubChem CID:	135110667
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	2.14
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations