Geometry & MOs

Info

ID:	30264
PubChem CID:	841058
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	3.35
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations