Geometry & MOs

Info

ID:	330153
PubChem CID:	127247140
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	9.37
Dipole, Da:	3.26
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCC3=CN=CC=C3

DOS

IR

Vibrations