Geometry & MOs

Info

ID:	229784
PubChem CID:	87568996
Reduced:	P2C27H48 (1)
Stoich.:	A2B27C48 (1)
Weight, g/mol:	454.40221
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	2.43
IP(EA), eV:	-7.93(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-di(butan-2-yl)-3-octyl-3-(2,4,4-trimethylpentyl)butanedioic acid

Drug info:

PubChemData

Smile

CCCCP(CCCC)C(C)C1C=CC=C1P(C2CCCCC2)C3CCCCC3

DOS

IR

Vibrations