Geometry & MOs

Info

ID:	230003
PubChem CID:	87569855
Reduced:	BrNH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	475.06439
ΔH_f, kcal/mol:	53.56
Dipole, Da:	2.6
IP(EA), eV:	-8.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzotriazol-1-ylmethyl)-2-[(2-bromophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

C1C=CC2=C(N1Br)C3=C(C=CN=C3C=C2)Br

DOS

IR

Vibrations