Geometry & MOs

Info

ID:	422725
PubChem CID:	135118303
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	6.91
IP(EA), eV:	-9.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-methylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CC3=CN=CC=C3)C4=C1C=CS4

DOS

IR

Vibrations