Geometry & MOs

Info

ID:	146752
PubChem CID:	53744113
Reduced:	ClON2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	359.0256
ΔH_f, kcal/mol:	1.5
Dipole, Da:	2.31
IP(EA), eV:	-8.16(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

17-bromo-N'-hydroxy-2,4,11-triaza-8-azoniatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-8-carboximidamide

Drug info:

PubChemData

Smile

CCCC1=C(C(=CC=C1)C2=C(N(C(=C2O)C3=CC=CC=C3)C)N)Cl

DOS

IR

Vibrations