Geometry & MOs

Info

ID:	413063
PubChem CID:	135086007
Reduced:	NBr2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	304.276616
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	4.33
IP(EA), eV:	-9.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CC1)C2=CC(=C(N=C2)Br)Br

DOS

IR

Vibrations