Geometry & MOs

Info

ID:	26017
PubChem CID:	636043
Reduced:	OPH14C19 (2)
Stoich.:	ABC14D19 (2)
Weight, g/mol:	774.819283
ΔH_f, kcal/mol:	28.2
Dipole, Da:	3.4
IP(EA), eV:	-8.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl pentacontanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC4=CC5=C(C=C43)C(=CC=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations