Geometry & MOs

Info

ID:	394400
PubChem CID:	135022911
Reduced:	ClNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	325.184193
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	3.69
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@]2(C3=CC=CC=C3CO2)C4=C(N1)C=CC(=C4)Cl

DOS

IR

Vibrations