Geometry & MOs

Info

ID:	149563
PubChem CID:	53789236
Reduced:	FO4N5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	299.2613
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	6.23
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylprop-2-enyl)-azacyclotridecane

Drug info:

PubChemData

Smile

CCCOC1=NC=CC(=N1)C2=C(N=C(N2)C3OCC(CO3)(C)C(=O)NCC4CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations