Geometry & MOs

Info

ID:	199949
PubChem CID:	79322029
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	309.85825
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	4.73
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(3-bromoprop-1-enyl)-4-chlorobenzene

Drug info:

PubChemData

Smile

CCC(=CC1=C(C(=CC(=C1)Br)Br)OCC)CN

DOS

IR

Vibrations