Geometry & MOs

Info

ID:	3006
PubChem CID:	9035
Reduced:	PSN3C10H20 (1)
Stoich.:	ABC3D10E20 (1)
Weight, g/mol:	245.111556
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	3.9
IP(EA), eV:	-8.86(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-bis(aziridin-1-yl)-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

C1CCCN(CC1)P(=S)(N2CC2)N3CC3

DOS

IR

Vibrations