Geometry & MOs

Info

ID:	415456
PubChem CID:	135088450
Reduced:	SN2O4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	2.93
IP(EA), eV:	-8.96(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-1-methylpiperidin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)CC2=CC=C(O2)C3CCCCO3

DOS

IR

Vibrations