Geometry & MOs

Info

ID:	89560
PubChem CID:	49962651
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	3.48
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylthiophen-2-yl)-(2-pyrazol-1-ylphenyl)methanol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(C2=CC(=C(C=C2)OC)OC)O

DOS

IR

Vibrations