Geometry & MOs

Info

ID:	330095
PubChem CID:	127247082
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	4.4
Dipole, Da:	5.31
IP(EA), eV:	-9.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations