Geometry & MOs

Info

ID:	355399
PubChem CID:	127288462
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	36.27
Dipole, Da:	2.59
IP(EA), eV:	-8.99(-0.7)
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]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations