Geometry & MOs

Info

ID:	304388
PubChem CID:	124576574
Reduced:	FNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-202.2
Dipole, Da:	6.29
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-benzyl-5-propylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1F)C(=O)N2CCC[C@H](C2)C(=O)O

DOS

IR

Vibrations