Geometry & MOs

Info

ID:	380896
PubChem CID:	134971495
Reduced:	OC13H21 (2)
Stoich.:	AB13C21 (2)
Weight, g/mol:	267.232405
ΔH_f, kcal/mol:	-144.7
Dipole, Da:	2.45
IP(EA), eV:	-9.08(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (E)-3,7,10,11-tetramethyldodec-2-enoate

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@]([C@H]1CC/C(=C/C(=O)OC)/C)(CCC3[C@@]2(CCCC3(C)C)C)C

DOS

IR

Vibrations