Geometry & MOs

Info

ID:	330110
PubChem CID:	127247097
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	3.87
Dipole, Da:	3.15
IP(EA), eV:	-9.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CCC3=CC(=NO3)Cl

DOS

IR

Vibrations