Geometry & MOs

Info

ID:	228247
PubChem CID:	87563740
Reduced:	O5C9H12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	292.043025
ΔH_f, kcal/mol:	-208.78
Dipole, Da:	7.58
IP(EA), eV:	-11.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[(3-isothiocyanatopyrazol-1-yl)methyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC(C(=O)C)C(=O)O

DOS

IR

Vibrations