Geometry & MOs

Info

ID:	389319
PubChem CID:	134992242
Reduced:	FeNP2C39H39 (1)
Stoich.:	ABC2D39E39 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	282.86
Dipole, Da:	3.17
IP(EA), eV:	-7.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,9S,10R)-7,15-diazatetracyclo[7.6.1.02,7.010,15]hexadecane

Drug info:

PubChemData

Smile

C[C]1[CH][CH][C]([CH]1)P(C2=CC=CC=C2)C3=CC=CC=C3.C[C@H]([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C.[Fe]

DOS

IR

Vibrations