Geometry & MOs

Info

ID:	388473
PubChem CID:	134989247
Reduced:	F2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-236.92
Dipole, Da:	3.98
IP(EA), eV:	-10.34(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-tert-butyl-3-methylhex-5-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(CCCCC(C1(F)F)C)(C)C)C

DOS

IR

Vibrations