Geometry & MOs

Info

ID:	330104
PubChem CID:	127247091
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	16.36
Dipole, Da:	2.08
IP(EA), eV:	-9.17(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CCC(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations