Geometry & MOs

Info

ID:	386073
PubChem CID:	134980703
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	176.060407
ΔH_f, kcal/mol:	-78.12
Dipole, Da:	1.81
IP(EA), eV:	-10.14(2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-chloro-2-methylpent-2-enyl] acetate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@@]1(CCC2)O

DOS

IR

Vibrations