Geometry & MOs

Info

ID:	270313
PubChem CID:	103636021
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	405.91777
ΔH_f, kcal/mol:	22.73
Dipole, Da:	4.4
IP(EA), eV:	-10.47(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1-cyanobutyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=NC=CN=C1

DOS

IR

Vibrations