Geometry & MOs

Info

ID:	404342
PubChem CID:	135065913
Reduced:	BClO3N6H30C33 (1)
Stoich.:	ABC3D6E30F33 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	7.12
IP(EA), eV:	-7.65(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC(=CC5=C3N=C6[N+]1=C(C7=C6C=C(C=C7)OCCC)N=C8N2C(=N4)C9=C8C=C(C=C9)OCCC)OCCC)Cl

DOS

IR

Vibrations