Geometry & MOs

Info

ID:	231067
PubChem CID:	87572550
Reduced:	NO2C19H23 (2)
Stoich.:	AB2C19D23 (2)
Weight, g/mol:	315.267759
ΔH_f, kcal/mol:	-112.46
Dipole, Da:	1.97
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyanamide;triethyl(octyl)phosphanium

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC/C(=N/OCCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)/C4(C)C)C

DOS

IR

Vibrations