Geometry & MOs

Info

ID:	150189
PubChem CID:	53789876
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	2.69
IP(EA), eV:	-9.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,7S)-5-ethenyl-7-[(R)-hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-one

Drug info:

PubChemData

Smile

C=C[C@H]1CN2[C@H](C[C@@H]1CC2=O)[C@H](C3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations