Geometry & MOs

Info

ID:	415680
PubChem CID:	135088679
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	6.38
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N2CCCN(CC2)C(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations