Geometry & MOs

Info

ID:	418104
PubChem CID:	135103590
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	362.08672
ΔH_f, kcal/mol:	24.81
Dipole, Da:	7.31
IP(EA), eV:	-8.47(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=CC2=O)CN(C)C(C)C3=NC=NC=C3

DOS

IR

Vibrations