Geometry & MOs

Info

ID:	271649
PubChem CID:	103687554
Reduced:	ClNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	2.16
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-2,5-dihydroxybenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Cl)C(=O)C2=C(C=CC(=C2)O)O

DOS

IR

Vibrations