Geometry & MOs

Info

ID:	399758
PubChem CID:	135042347
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	403.98096
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	5.08
IP(EA), eV:	-9.97(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dibromo-3-methylpent-4-enyl) 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CC[C@@H]1C(=O)C)O

DOS

IR

Vibrations