Geometry & MOs

Info

ID:	400689
PubChem CID:	135048769
Reduced:	IB3N4C9H23 (1)
Stoich.:	AB3C4D9E23 (1)
Weight, g/mol:	220.220187
ΔH_f, kcal/mol:	1.62
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759518
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]1[N+]([B-](C[N+]1(C)C)C#[N+][B-][N+](C)(C)C)(C)C.[I-]

DOS

IR

Vibrations