Geometry & MOs

Info

ID:	410841
PubChem CID:	135083642
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	1.59
IP(EA), eV:	-9.49(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxyhepta-1,4-diyn-3-yl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)COCC1=COC=C1

DOS

IR

Vibrations