Geometry & MOs

Info

ID:	419117
PubChem CID:	135107536
Reduced:	NO8C18H21 (1)
Stoich.:	AB8C18D21 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-278.96
Dipole, Da:	5.46
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations