Geometry & MOs

Info

ID:	384005
PubChem CID:	134976152
Reduced:	NC21H23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	284.043321
ΔH_f, kcal/mol:	66.96
Dipole, Da:	0.61
IP(EA), eV:	-8.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-[2-(4-nitrophenyl)ethynyl]phenol

Drug info:

PubChemData

Smile

CCCC/C(=C(/C#CC1=CC=C(C=C1)N)\C2=CC=CC=C2)/C

DOS

IR

Vibrations