Geometry & MOs

Info

ID:	366937
PubChem CID:	127321923
Reduced:	NSO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	4.86
IP(EA), eV:	-9.52(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC2(C1)CCC=CC2)S(=O)(=O)C

DOS

IR

Vibrations