Geometry & MOs

Info

ID:	310356
PubChem CID:	126579220
Reduced:	ClIN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	308.117235
ΔH_f, kcal/mol:	38.66
Dipole, Da:	2.12
IP(EA), eV:	-9.15(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(fluoromethyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)I)COC2=NN(C=C2)O)Cl

DOS

IR

Vibrations