Geometry & MOs

Info

ID:	192225
PubChem CID:	78248053
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-161.18
Dipole, Da:	4.74
IP(EA), eV:	-9.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-3-(2-methoxyphenyl)-2-methylsulfonyl-1,3-dihydropyrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCOC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

DOS

IR

Vibrations