Geometry & MOs

Info

ID:	380003
PubChem CID:	134964468
Reduced:	OC17H28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	271.96842
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	2.14
IP(EA), eV:	-9.08(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-formyl-6-methoxyphenyl) acetate

Drug info:

PubChemData

Smile

CC(C)CC(CC(C)C)(C1=C[C@@H]2CCC1C=C2)O

DOS

IR

Vibrations