Geometry & MOs

Info

ID:	244245
PubChem CID:	99319570
Reduced:	BrFN2O2H18C19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	0.86
IP(EA), eV:	-9.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-4-(4-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NCCNC(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations