Geometry & MOs

Info

ID:	170013
PubChem CID:	75181519
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	351.92853
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	3.58
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[3-(4-bromophenyl)prop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1O)(C)C)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations