Geometry & MOs

Info

ID:	389371
PubChem CID:	134992580
Reduced:	IOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	272.04119
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	2.19
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-2,6,6-trimethyl-5,7-dihydro-3H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C1CC[C@]([C@H](C1)I)(C2=CC=CC=C2)O

DOS

IR

Vibrations