Geometry & MOs

Info

ID:	398303
PubChem CID:	135032734
Reduced:	O4C23H30 (1)
Stoich.:	A4B23C30 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	13.93
IP(EA), eV:	-8.18(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

CC1=CC2=C([C@H]3[C@@H]4C(C3(C)CCC=C(C)C)CC[C@@]4(O2)C)C(=C1C(=O)O)O

DOS

IR

Vibrations