Geometry & MOs

Info

ID:	50414
PubChem CID:	12012946
Reduced:	BrNPO3H15C19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	355.077359
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	1.53
IP(EA), eV:	-9.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations