Geometry & MOs

Info

ID:	434838
PubChem CID:	135175811
Reduced:	Cl2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	9.74
Dipole, Da:	2.3
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,5-dimethyl-5-(2-methylpropanoyloxy)hexanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)CC(C)C2=C(C(=CC=C2)Cl)Cl)C3CC3

DOS

IR

Vibrations