Geometry & MOs

Info

ID:	231236
PubChem CID:	87573105
Reduced:	N2O3C30H35 (1)
Stoich.:	A2B3C30D35 (1)
Weight, g/mol:	273.220809
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	10.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056693
Charge, e:	1

Chem-info

IUPAC name:

cyanamide;trimethyl(octyl)phosphanium

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[N+]2(CCC1CC2)CC(=O)C3=CC=CC=C3.CN(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations