Geometry & MOs

Info

ID:	182147
PubChem CID:	76853338
Reduced:	OC4H4 (5)
Stoich.:	AB4C4 (5)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	3.75
IP(EA), eV:	-8.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]butanoate

Drug info:

PubChemData

Smile

CC1C(C2=CC(=C(C=C2C=C1C=O)OC)O)C3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations