Geometry & MOs

Info

ID:	194289
PubChem CID:	78510659
Reduced:	SO6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	3.46
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)COC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations