Geometry & MOs

Info

ID:	89691
PubChem CID:	49963737
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	4.25
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations