Geometry & MOs

Info

ID:	419286
PubChem CID:	135107889
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	24.54
Dipole, Da:	3.54
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations