Geometry & MOs

Info

ID:	392807
PubChem CID:	135018017
Reduced:	O7C37H40 (1)
Stoich.:	A7B37C40 (1)
Weight, g/mol:	384.157288
ΔH_f, kcal/mol:	-206.78
Dipole, Da:	4.86
IP(EA), eV:	-9.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-but-3-enyl-5-(3,4-dimethoxyphenyl)benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)CCC(=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations