Geometry & MOs

Info

ID:	308282
PubChem CID:	125325696
Reduced:	SO3N6C20H22 (1)
Stoich.:	AB3C6D20E22 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-ethoxyphenoxy)-3H-pyrazol-5-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=CS1)NC(=O)N2CCN(CC2)C(=O)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations