Geometry & MOs

Info

ID:	364985
PubChem CID:	127316635
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.51
IP(EA), eV:	-8.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)C1(CCCC1)CNC(=O)C(C2=CC=CC=C2)N3CCSCC3

DOS

IR

Vibrations