Geometry & MOs

Info

ID:	38543
PubChem CID:	8137026
Reduced:	BrClN2O3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	344.01718
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	3.19
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)COC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations