Geometry & MOs

Info

ID:	82506
PubChem CID:	49856113
Reduced:	OC7H8 (1)
Stoich.:	AB7C8 (1)
Weight, g/mol:	758.202569
ΔH_f, kcal/mol:	24.72
Dipole, Da:	4.69
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,5S)-3-benzyl-7-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-9-[(1R)-1-phenylethyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

C/C=C(\C)/C#CC=O

DOS

IR

Vibrations