Geometry & MOs

Info

ID:	402122
PubChem CID:	135054495
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-235.87
Dipole, Da:	4.91
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-[(E)-2-(4-methoxyphenyl)ethenyl]cyclopent-3-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC(CC2=C[C@H](O1)C3=CC=C(C=C3)OC)(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations