Geometry & MOs

Info

ID:	355408
PubChem CID:	127288471
Reduced:	OSN7C15H23 (1)
Stoich.:	ABC7D15E23 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	47.28
Dipole, Da:	4.83
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations