Geometry & MOs

Info

ID:	274595
PubChem CID:	103810472
Reduced:	BrN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	325.98777
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	3.96
IP(EA), eV:	-9.47(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-3-methylpyridin-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NC(=O)C2=C(C=C(C=C2)O)O)Br

DOS

IR

Vibrations