Geometry & MOs

Info

ID:	245749
PubChem CID:	103023484
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	16.23
Dipole, Da:	3.22
IP(EA), eV:	-9.21(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(2-methylpyrrolidin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CC3=CC=CC=C3CN2

DOS

IR

Vibrations