Geometry & MOs

Info

ID:	419537
PubChem CID:	135108393
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	2.77
Dipole, Da:	3.74
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=NC=C(C=N1)CN2CCC3(CC2)CCO3

DOS

IR

Vibrations