Geometry & MOs

Info

ID:	330086
PubChem CID:	127247073
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	21.2
Dipole, Da:	0.89
IP(EA), eV:	-9.17(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylpyridin-2-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations