Geometry & MOs

Info

ID:

88754

PubChem CID:

49956515

Reduced:

NOCl2C8H10 (1)

Stoich.:

ABC2D8E10 (1)

Weight, g/mol:

308.98748

ΔHf, kcal/mol:

-28.63

Dipole, Da:

3.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.042461

Charge, e:

 -1

Chem-info

IUPAC name:

3-[(4-nitrophenyl)methoxy]pyridine;bromide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCN.[Cl-]

DOS

IR

Vibrations