Geometry & MOs

Info

ID:	155604
PubChem CID:	56366195
Reduced:	BrN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	431.00924
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	3.89
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2CCCN(C2)C(=O)C3CC3

DOS

IR

Vibrations