Geometry & MOs

Info

ID:	330169
PubChem CID:	127247156
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	1.96
Dipole, Da:	4.91
IP(EA), eV:	-9.09(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations