Geometry & MOs

Info

ID:	24040
PubChem CID:	607514
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	3.09
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-oxo-5-phenyl-1,2,3,6a-tetrahydropentalen-3a-yl)oxy]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C(=C)OC12CCCC1C(=O)C(=C2)C3=CC=CC=C3

DOS

IR

Vibrations