Geometry & MOs

Info

ID:	322030
PubChem CID:	126668336
Reduced:	ClNOF3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	263.082744
ΔH_f, kcal/mol:	-188.48
Dipole, Da:	4.88
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-ethoxy-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(CN(CCCO)CC1=C(C(=CC=C1)C(F)(F)F)Cl)C2=CC=CC=C2

DOS

IR

Vibrations