Geometry & MOs

Info

ID:	420096
PubChem CID:	135111117
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	2.64
Dipole, Da:	2.86
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-[(6-methylquinolin-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CCC5=NNC(=O)C=C5

DOS

IR

Vibrations