Geometry & MOs

Info

ID:	127640
PubChem CID:	51009621
Reduced:	O2C9H15 (2)
Stoich.:	A2B9C15 (2)
Weight, g/mol:	571.26017
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	5.34
IP(EA), eV:	-9.19(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-3-acetyl-7-[4-[2-(2-chloro-5-methylphenoxy)ethyl]phenyl]-N-methyl-N-(2-phenylethyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Drug info:

PubChemData

Smile

C/C(=C/CC[C@@]1([C@@H]2CC[C@@H](C2)C1=O)C)/COCOCCOC

DOS

IR

Vibrations