Geometry & MOs

Info

ID:	438466
PubChem CID:	135228207
Reduced:	BrClON5C16H17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	378.136113
ΔH_f, kcal/mol:	47.31
Dipole, Da:	5.96
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-octylphenyl)-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCOCC1=NN=C2N1C/C(=C(/N)\Br)/N(C3=C2C=C(C=C3)Cl)C=C

DOS

IR

Vibrations