Geometry & MOs

Info

ID:	389540
PubChem CID:	134993573
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-119.08
Dipole, Da:	1.92
IP(EA), eV:	-9.46(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-methyltridec-2-en-4,6-diynoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C[C@H](O[C@@H]2O1)/C=C\C=C)C

DOS

IR

Vibrations