Geometry & MOs

Info

ID:	59359
PubChem CID:	24841762
Reduced:	FPSCl2O3C12H16 (1)
Stoich.:	ABCD2E3F12G16 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-264.25
Dipole, Da:	3.73
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate

Drug info:

PubChemData

Smile

CCCOP(=S)(OCCC)OC1=C(C=C(C=C1Cl)Cl)F

DOS

IR

Vibrations