Geometry & MOs

Info

ID:	89664
PubChem CID:	49963416
Reduced:	NSO2H25C28 (1)
Stoich.:	ABC2D25E28 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	13.29
Dipole, Da:	1.91
IP(EA), eV:	-8.09(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrazol-3-yl)-(3-phenylmethoxyphenyl)methanol

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC3=CC=CC(=C31)C(C4=CC(=CC=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations