Geometry & MOs

Info

ID:	405337
PubChem CID:	135073559
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	244.04628
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	1.67
IP(EA), eV:	-9.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-2-bromocycloocten-1-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC=CC1=CC=CC=C1C2CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations