Geometry & MOs

Info

ID:	276616
PubChem CID:	103824485
Reduced:	BrIN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	357.03242
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	2.26
IP(EA), eV:	-9.77(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)Br)I)C(=O)NC

DOS

IR

Vibrations