Geometry & MOs

Info

ID:	272137
PubChem CID:	103726717
Reduced:	NOCl2S2H5C8 (1)
Stoich.:	ABC2D2E5F8 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	15.64
Dipole, Da:	2.18
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC(=C1C2=CSC(=N2)CO)Cl)Cl

DOS

IR

Vibrations