Geometry & MOs

Info

ID:	253789
PubChem CID:	103120665
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	35.43
Dipole, Da:	3.06
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1CN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations