Geometry & MOs

Info

ID:	271656
PubChem CID:	103687682
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)O)O)C

DOS

IR

Vibrations