Geometry & MOs

Info

ID:	422636
PubChem CID:	135118172
Reduced:	NO3C15H16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	6.33
IP(EA), eV:	-8.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations