Geometry & MOs

Info

ID:	393721
PubChem CID:	135021561
Reduced:	YN2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	115.99
Dipole, Da:	7.82
IP(EA), eV:	-5.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinoline

Drug info:

PubChemData

Smile

C=CC1CN2CCC1C[C@H]2[CH-]C3=CC=NC4=CC=CC=C34.[Y]

DOS

IR

Vibrations