Geometry & MOs

Info

ID:	306280
PubChem CID:	125003531
Reduced:	SN7C18H23 (1)
Stoich.:	AB7C18D23 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	93.27
Dipole, Da:	4.75
IP(EA), eV:	-8.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC2=NC=CN=C2[C@H]3CCCN(C3)CC4=CN=CN4C

DOS

IR

Vibrations