Geometry & MOs

Info

ID:	150096
PubChem CID:	53789782
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	226.266051
ΔH_f, kcal/mol:	-238.83
Dipole, Da:	4.47
IP(EA), eV:	-9.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyldodecane

Drug info:

PubChemData

Smile

C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2C4(C[C@]5([C@H]3CC[C@@]5(C(=O)CO)O)CO4)O

DOS

IR

Vibrations