Geometry & MOs

Info

ID:	423476
PubChem CID:	135119565
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	358.136257
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	2.76
IP(EA), eV:	-8.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(4-fluorophenoxy)ethylsulfonyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=NOC(=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations