Geometry & MOs

Info

ID:	330091
PubChem CID:	127247078
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	9.07
Dipole, Da:	4.0
IP(EA), eV:	-9.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations