Geometry & MOs

Info

ID:	421930
PubChem CID:	135116859
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.14
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)CO

DOS

IR

Vibrations