Geometry & MOs

Info

ID:	421410
PubChem CID:	135115934
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	352.262697
ΔH_f, kcal/mol:	30.07
Dipole, Da:	5.96
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dimethyl-4-(4,7,8-trimethylquinolin-2-yl)-1,4,9-triazaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=NC=C1)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations