Geometry & MOs

Info

ID:	150043
PubChem CID:	53789728
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	114.005199
ΔH_f, kcal/mol:	-186.87
Dipole, Da:	1.26
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

azido-cyanato-oxoazanium

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O)C

DOS

IR

Vibrations