Geometry & MOs

Info

ID:	89709
PubChem CID:	49963949
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	9.18
Dipole, Da:	1.17
IP(EA), eV:	-9.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyrazol-1-ylphenyl)-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(C2=CC=CS2)O

DOS

IR

Vibrations