Geometry & MOs

Info

ID:	231915
PubChem CID:	87574905
Reduced:	ON3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	457.309313
ΔH_f, kcal/mol:	-10.12
Dipole, Da:	4.1
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'S,5R)-1'-[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)[C@]3(CCC2)CNC[C@H]3C4CC(CCN4C=O)C5=CC=CC=C5

DOS

IR

Vibrations