Geometry & MOs

Info

ID:	449643
PubChem CID:	135300243
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	5.58
IP(EA), eV:	-8.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C/C=C(/C=O)\SC(C)N(C)CCO

DOS

IR

Vibrations