Geometry & MOs

Info

ID:	149488
PubChem CID:	53789161
Reduced:	FO5N6C31H35 (1)
Stoich.:	AB5C6D31E35 (1)
Weight, g/mol:	368.32636
ΔH_f, kcal/mol:	-150.44
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioctyl-3-oxa-2,4,6,8,9-pentazabicyclo[3.3.1]non-6-en-7-amine

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=C(C=C4)OC)C5=CC=C(C=C5)F)C(=O)NCCCOC

DOS

IR

Vibrations