Geometry & MOs

Info

ID:	426523
PubChem CID:	135144661
Reduced:	Br2O2N5C16H19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	432.9572
ΔH_f, kcal/mol:	58.97
Dipole, Da:	9.09
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-5,6-dibromo-4-nitro-1-propan-2-ylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)NC2=NC3=C(C(=C(C=C3N2CC4CC4)Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations