Geometry & MOs

Info

ID:	335829
PubChem CID:	127254691
Reduced:	FNO6H28C36 (1)
Stoich.:	ABC6D28E36 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-132.59
Dipole, Da:	4.64
IP(EA), eV:	-8.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-3-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=C(C=CC(=C7)OC)OC

DOS

IR

Vibrations