Geometry & MOs

Info

ID:	50415
PubChem CID:	12012947
Reduced:	FNPO3H15C19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	405.074165
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	6.18
IP(EA), eV:	-9.97(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diphenylphosphorylmethyl)-2-nitro-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations