Geometry & MOs

Info

ID:	417782
PubChem CID:	135102761
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	332.17002
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	3.29
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(6,8-difluoro-2-methylquinolin-4-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=N4)OC[C@@H]1O)O

DOS

IR

Vibrations