Geometry & MOs

Info

ID:	419665
PubChem CID:	135108680
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	376.15537
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	6.44
IP(EA), eV:	-9.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-(7-chloro-4-methylquinolin-2-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations