Geometry & MOs

Info

ID:	43733
PubChem CID:	10321715
Reduced:	OBr2N2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	454.03299
ΔH_f, kcal/mol:	20.28
Dipole, Da:	3.41
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN(CCN1)C(COCC2=CC(=CC(=C2)Br)Br)C3=CC=CC=C3

DOS

IR

Vibrations