Geometry & MOs

Info

ID:	427650
PubChem CID:	135160982
Reduced:	O2Br3N4H7C11 (1)
Stoich.:	A2B3C4D7E11 (1)
Weight, g/mol:	459.99325
ΔH_f, kcal/mol:	71.93
Dipole, Da:	9.76
IP(EA), eV:	-9.89(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(5,6-dibromo-1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(CN1C2=CC(=C(C(=C2N=C1Br)[N+](=O)[O-])Br)Br)C#N

DOS

IR

Vibrations