Geometry & MOs

Info

ID:	220504
PubChem CID:	85197627
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	322.214409
ΔH_f, kcal/mol:	-170.08
Dipole, Da:	1.88
IP(EA), eV:	-9.68(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,9,9-trimethyl-10-(oxan-2-yloxy)dec-6-en-2-ynoate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CC1C(OCO1)C=CCCC(=O)OC

DOS

IR

Vibrations