Geometry & MOs

Info

ID:	230579
PubChem CID:	87571422
Reduced:	N2O3C30H36 (1)
Stoich.:	A2B3C30D36 (1)
Weight, g/mol:	443.371459
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	3.9
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl(trioctyl)phosphanium;thiocyanate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCC[C@@H](C3)C4=CC=C(C=C4)C(=O)NOCC5CCOC5

DOS

IR

Vibrations