Geometry & MOs

Info

ID:	404925
PubChem CID:	135071817
Reduced:	O5C13H20 (1)
Stoich.:	A5B13C20 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-232.89
Dipole, Da:	5.14
IP(EA), eV:	-9.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-5-(4-methoxyphenyl)pent-4-enyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C(=C\COC(=O)C)/C)C(=O)C

DOS

IR

Vibrations