Geometry & MOs

Info

ID:	309914
PubChem CID:	126566835
Reduced:	O4C29H32 (1)
Stoich.:	A4B29C32 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	3.18
IP(EA), eV:	-9.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutyl)-4-oxo-2-propan-2-yloctyl] benzoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)OC(=O)C2=CC=CC=C2C(C)C)OC(=O)C3=CC=CC=C3C(C)C

DOS

IR

Vibrations