Geometry & MOs

Info

ID:	396623
PubChem CID:	135028902
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	510.13745
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	7.17
IP(EA), eV:	-10.01(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dipyridin-2-ylphosphorylmethyl)phenyl]methyl-pyridin-2-ylphosphoryl]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])(C(C2=CC=CC=C2)O)Cl

DOS

IR

Vibrations