Geometry & MOs

Info

ID:	291969
PubChem CID:	113995656
Reduced:	Br2O5H10C11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	360.94999
ΔH_f, kcal/mol:	-180.62
Dipole, Da:	3.91
IP(EA), eV:	-10.45(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromo-4-but-3-ynoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=C(C=C(C=C1Br)C(=O)O)Br

DOS

IR

Vibrations