Geometry & MOs

Info

ID:	50413
PubChem CID:	12012945
Reduced:	ClNPO3H15C19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	414.99729
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	3.08
IP(EA), eV:	-10.03(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(diphenylphosphorylmethyl)-1-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations