Geometry & MOs

Info

ID:	268608
PubChem CID:	103600195
Reduced:	O2N7H9C12 (1)
Stoich.:	A2B7C9D12 (1)
Weight, g/mol:	456.95382
ΔH_f, kcal/mol:	68.14
Dipole, Da:	1.22
IP(EA), eV:	-9.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(4-ethylphenyl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=NNC(=O)C=C2)C3=NNN=N3

DOS

IR

Vibrations