Geometry & MOs

Info

ID:	397781
PubChem CID:	135030724
Reduced:	O2S2C17H32 (1)
Stoich.:	A2B2C17D32 (1)
Weight, g/mol:	277.99424
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	2.48
IP(EA), eV:	-8.48(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CCCCC[C@H](C1(SCCCS1)CC/C=C/C(CC)O)O

DOS

IR

Vibrations