Geometry & MOs

Info

ID:	198951
PubChem CID:	79177355
Reduced:	BrOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	1.76
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenoxyhex-5-en-3-ol

Drug info:

PubChemData

Smile

CC(=C)CC(=O)CSC1=CC(=CC=C1)Br

DOS

IR

Vibrations