Geometry & MOs

Info

ID:	35315
PubChem CID:	7979677
Reduced:	ClN3O5C12H12 (1)
Stoich.:	AB3C5D12E12 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-91.31
Dipole, Da:	10.13
IP(EA), eV:	-9.53(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylphenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations