Geometry & MOs

Info

ID:	420727
PubChem CID:	135114711
Reduced:	FN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	7.65
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=CC(=C3)C#N)F)O

DOS

IR

Vibrations