Geometry & MOs

Info

ID:	416868
PubChem CID:	135090620
Reduced:	NS2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-150.49
Dipole, Da:	7.17
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4S3)O

DOS

IR

Vibrations