Geometry & MOs

Info

ID:	355410
PubChem CID:	127288473
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	2.6
Dipole, Da:	4.39
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CSCC3=CN=CC=C3

DOS

IR

Vibrations