Geometry & MOs

Info

ID:	264409
PubChem CID:	103459527
Reduced:	FO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	274.144806
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	2.03
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-propan-2-ylpyrazol-3-yl)-3-ethylpentane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C2=CC3=C(O2)C(=CC=C3)F)O)O

DOS

IR

Vibrations