Geometry & MOs

Info

ID:	279497
PubChem CID:	103844120
Reduced:	N3O4H11C14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	1.45
Dipole, Da:	4.36
IP(EA), eV:	-9.98(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-nitropyridin-2-yl)oxyphenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCO)OC2=C(C=C(C=N2)[N+](=O)[O-])C#N

DOS

IR

Vibrations