Geometry & MOs

Info

ID:	330155
PubChem CID:	127247142
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	3.63
IP(EA), eV:	-9.0(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations