Geometry & MOs

Info

ID:	183557
PubChem CID:	77039372
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	357.96145
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	2.65
IP(EA), eV:	-9.18(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-2-(4-iodopyrazol-1-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)NC(C1CC1)C(=NO)N)C(C)(C)C

DOS

IR

Vibrations