Geometry & MOs

Info

ID:	442451
PubChem CID:	135252144
Reduced:	NH7C11 (4)
Stoich.:	AB7C11 (4)
Weight, g/mol:	207.1987
ΔH_f, kcal/mol:	232.82
Dipole, Da:	6.68
IP(EA), eV:	-8.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(E)-hex-2-enylidene]-7-methylazocane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=NC=C3)C4=CN=CC(=C42)C5=CC=CC6=C5C(=CC=C6)C7=CC=CC8=C7N(C9=CC=CC=C89)C1=CC=CC=C1

DOS

IR

Vibrations