Geometry & MOs

Info

ID:	396348
PubChem CID:	135028129
Reduced:	SeN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	342.16198
ΔH_f, kcal/mol:	-202.19
Dipole, Da:	3.63
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-acetylphenyl)-2,5-dimethylphenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C3C([C@@](O2)(C[Se]3)CO)O

DOS

IR

Vibrations