Geometry & MOs

Info

ID:	141532
PubChem CID:	52890443
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	5.83
IP(EA), eV:	-9.57(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)C2=CC=CC=C2)C

DOS

IR

Vibrations