Geometry & MOs

Info

ID:	419552
PubChem CID:	135108409
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	7.12
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethyl-1,2,4-triazol-3-yl)-1-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCCN(C)C(=O)C2=NN3CC(CNC(=O)C3=C2)O

DOS

IR

Vibrations