Geometry & MOs

Info

ID:	46591
PubChem CID:	10525411
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	406.240018
ΔH_f, kcal/mol:	-44.62
Dipole, Da:	7.21
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(benzylideneamino)ethyl]-N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=C2CC/C=C/CC3CCCN4C3=C(CC/C=C/CCC2=NC=C1)C(=O)CC4

DOS

IR

Vibrations