Geometry & MOs

Info

ID:	181394
PubChem CID:	76742324
Reduced:	O2C21H31 (2)
Stoich.:	A2B21C31 (2)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-207.97
Dipole, Da:	2.04
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methylnon-8-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)OC2CCC34CC35CCC6(C(CCC6(C5CCC4C2(C)C)C)C(C)CCC=C(C)C)C)CO

DOS

IR

Vibrations