Geometry & MOs

Info

ID:	418450
PubChem CID:	135104903
Reduced:	SN2O6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-215.46
Dipole, Da:	4.75
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations