Geometry & MOs

Info

ID:	264468
PubChem CID:	103463337
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	421.96637
ΔH_f, kcal/mol:	-176.48
Dipole, Da:	2.39
IP(EA), eV:	-9.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-2-(2,2-dimethylbutylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)N1CCCCC1CC(=O)O

DOS

IR

Vibrations