Geometry & MOs

Info

ID:	149840
PubChem CID:	53789519
Reduced:	PN5O7C24H42 (1)
Stoich.:	AB5C7D24E42 (1)
Weight, g/mol:	232.219101
ΔH_f, kcal/mol:	-242.94
Dipole, Da:	6.5
IP(EA), eV:	-9.44(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yloctylbenzene

Drug info:

PubChemData

Smile

CP(OCCCCCCNC(=O)OCC[N+]#[C-])OCC[N+]#[C-].[C-]#[N+]CCOC(=O)NCCCCCCO

DOS

IR

Vibrations