Geometry & MOs

Info

ID:

160961

PubChem CID:

57390370

Reduced:

PSN3O6C22H29 (1)

Stoich.:

ABC3D6E22F29 (1)

Weight, g/mol:

196.063663

ΔHf, kcal/mol:

-251.13

Dipole, Da:

7.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768096

Charge, e:

 0

Chem-info

IUPAC name:

4-pyridin-4-yloxybenzonitrile

Drug info:

PubChemData

Smile

C1CNCCC1CCOC2=CC=C(C=C2)C(=O)NC[C@H](NS(=O)(=O)C3=CC=CC=C3)[P+](=O)O

DOS

IR

Vibrations