Geometry & MOs

Info

ID:	449801
PubChem CID:	135301642
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	389.19978
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	1.81
IP(EA), eV:	-8.61(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[[2-[6-(methylamino)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)N2CCC3(C2)CCN(C3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations