Geometry & MOs

Info

ID:	89726
PubChem CID:	49964115
Reduced:	ClOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	3.43
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C2=C(C=CC=C2Cl)Cl)O

DOS

IR

Vibrations