Geometry & MOs

Info

ID:	60038
PubChem CID:	26665855
Reduced:	ClN2O7H21C25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	301.147807
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	8.36
IP(EA), eV:	-8.93(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations