Geometry & MOs

Info

ID:	399008
PubChem CID:	135036994
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	297.00646
ΔH_f, kcal/mol:	2.83
Dipole, Da:	3.09
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;methanone;1-phenylethanol;ruthenium(3+)

Drug info:

PubChemData

Smile

CCC(C)(C#CC1=CC=CC=C1Br)O

DOS

IR

Vibrations