Geometry & MOs

Info

ID:	137273
PubChem CID:	52181741
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	319.138385
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	4.67
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[3-[(1S)-1-phenylethoxy]propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCOC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations