Geometry & MOs

Info

ID:	38540
PubChem CID:	8137022
Reduced:	BrF2N2O3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-173.57
Dipole, Da:	2.38
IP(EA), eV:	-9.55(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)/C=C/C2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations