Geometry & MOs

Info

ID:	327863
PubChem CID:	126691179
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	445.191199
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.44
IP(EA), eV:	-8.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-propan-2-yl-4-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinan-2-yl)hexan-2-amine

Drug info:

PubChemData

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C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2NC)Cl

DOS

IR

Vibrations