Geometry & MOs

Info

ID:	413763
PubChem CID:	135086713
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	5.87
IP(EA), eV:	-9.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methyl-5-oxo-8-phenylmethoxynon-6-ynoate

Drug info:

PubChemData

Smile

COC(=O)CCCC(=O)C#CCCOCC1=CC=CC=C1

DOS

IR

Vibrations