Geometry & MOs

Info

ID:	436942
PubChem CID:	135213195
Reduced:	ON4C18H38 (1)
Stoich.:	AB4C18D38 (1)
Weight, g/mol:	535.11206
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	3.32
IP(EA), eV:	-8.52(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclooctatetraenyl)-5-(2-iodoethyl)-6-(methylamino)pyridin-3-yl]cyclodecapentaenecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC[C@H]([C@@H](C1)N)OCC(C)(C)N2CCC[C@H](C2)N

DOS

IR

Vibrations