Geometry & MOs

Info

ID:	415610
PubChem CID:	135088609
Reduced:	SN4O4C13H18 (1)
Stoich.:	AB4C4D13E18 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	4.15
IP(EA), eV:	-9.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CN2)C#N

DOS

IR

Vibrations