Geometry & MOs

Info

ID:	229991
PubChem CID:	87569831
Reduced:	O2C43H50 (1)
Stoich.:	A2B43C50 (1)
Weight, g/mol:	452.459331
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	3.59
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyloctyl 2-octyldecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C=O)C4=C1C=C(C=C4)C5=CC=C(C=C5)C=O)CCCCCCCC

DOS

IR

Vibrations