Geometry & MOs

Info

ID:	306021
PubChem CID:	125000597
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-1.09
Dipole, Da:	4.84
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCC[C@H](C2)C3=CC(=NC=C3)NC

DOS

IR

Vibrations