Geometry & MOs

Info

ID:	328194
PubChem CID:	126697520
Reduced:	NO5C38H67 (1)
Stoich.:	AB5C38D67 (1)
Weight, g/mol:	498.24736
ΔH_f, kcal/mol:	-318.73
Dipole, Da:	3.35
IP(EA), eV:	-8.72(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromoheptyl dioctyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC1=CC=CC(=C1)CCCCC)CCO

DOS

IR

Vibrations