Geometry & MOs

Info

ID:	217323
PubChem CID:	85087619
Reduced:	BrNCl2O3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	357.00866
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	3.88
IP(EA), eV:	-9.73(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-diazonio-5-methylpyrazolidin-3-yl)-4-iodobenzenecarboximidate

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=C(C=C(C=C1)Cl)Cl)Br)NC=O

DOS

IR

Vibrations