Geometry & MOs

Info

ID:	389176
PubChem CID:	134991395
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	516.277678
ΔH_f, kcal/mol:	-94.76
Dipole, Da:	5.03
IP(EA), eV:	-9.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethenyl-4-methyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]-6-methoxy-3,4-dihydroquinoline

Drug info:

PubChemData

Smile

C[C@@]1([C@](O1)(C)S(=O)(=O)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations