Geometry & MOs

Info

ID:	205501
PubChem CID:	80113581
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	215.072848
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-4-propylsulfanylpyrazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)CC2=C(C(=CC=C2)F)F)CN

DOS

IR

Vibrations