Geometry & MOs

Info

ID:	310422
PubChem CID:	126580084
Reduced:	SN2H28C46 (1)
Stoich.:	AB2C28D46 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	211.62
Dipole, Da:	1.95
IP(EA), eV:	-7.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=CC=CC=C6N5C7=CC=C(C8=CC=CC=C87)C9=CC=CC1=C9SC2=CC=CC=C12

DOS

IR

Vibrations