Geometry & MOs

Info

ID:	58517
PubChem CID:	24702221
Reduced:	BrFN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	3.49
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)phenoxy]-N-(2-pyridin-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations