Geometry & MOs

Info

ID:	330128
PubChem CID:	127247115
Reduced:	ClFON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	308.138559
ΔH_f, kcal/mol:	-42.65
Dipole, Da:	3.97
IP(EA), eV:	-9.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations