Geometry & MOs

Info

ID:	382985
PubChem CID:	134974449
Reduced:	NO6H45C48 (1)
Stoich.:	AB6C45D48 (1)
Weight, g/mol:	285.063722
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	2.45
IP(EA), eV:	-7.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=CC2=CC=C(C=C2)N(C3=CC=C(C=C3)C=CC4=C(C(=CC=C4)OC)OC)C5=CC=C(C=C5)C=CC6=C(C(=CC=C6)OC)OC

DOS

IR

Vibrations