Geometry & MOs

Info

ID:	231141
PubChem CID:	87572749
Reduced:	N2O4C19H36 (1)
Stoich.:	A2B4C19D36 (1)
Weight, g/mol:	457.387109
ΔH_f, kcal/mol:	-251.03
Dipole, Da:	2.18
IP(EA), eV:	-10.16(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-octyloctadecan-9-ylphosphanium;thiocyanate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)OCC

DOS

IR

Vibrations