Geometry & MOs

Info

ID:	18221
PubChem CID:	538951
Reduced:	BrO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	2.39
IP(EA), eV:	-9.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-methyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl) acetate

Drug info:

PubChemData

Smile

CC1C2CCC(C2C=C1OC(=O)C)Br

DOS

IR

Vibrations