Geometry & MOs

Info

ID:	221071
PubChem CID:	85256723
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	272.162369
ΔH_f, kcal/mol:	-250.88
Dipole, Da:	3.03
IP(EA), eV:	-9.45(0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-hexyl-2,4,5,6,13-pentaza-11-azoniatricyclo[7.4.0.03,7]trideca-1,3,6,8,10,12-hexaen-10-amine

Drug info:

PubChemData

Smile

CC(=O)N1C(CCCC1COC(=O)C)COC(=O)C

DOS

IR

Vibrations