Geometry & MOs

Info

ID:	270049
PubChem CID:	103624074
Reduced:	NOBr2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	451.95964
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	2.13
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-iodo-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1(CC1NCC2=CC(=C(C(=C2)Br)O)Br)C

DOS

IR

Vibrations