Geometry & MOs

Info

ID:	89708
PubChem CID:	49963942
Reduced:	FNOH14C20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	8.36
Dipole, Da:	2.9
IP(EA), eV:	-8.47(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylpyrazol-3-yl)-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C4=C(N=CC=C4)F)O

DOS

IR

Vibrations