Geometry & MOs

Info

ID:	35344
PubChem CID:	7979726
Reduced:	ClFN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	4.3
IP(EA), eV:	-8.93(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-N-(2-hydroxy-4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations