Geometry & MOs

Info

ID:	421506
PubChem CID:	135116139
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	3.99
IP(EA), eV:	-8.5(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(4-phenyl-1,3-thiazol-2-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=NC(=NC(=C2)C)N3CCCCC3)C(=O)O

DOS

IR

Vibrations