Geometry & MOs

Info

ID:	207072
PubChem CID:	80342290
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	5.6
IP(EA), eV:	-9.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-nitrophenoxy)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)OC2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations