Geometry & MOs

Info

ID:	66041
PubChem CID:	46488304
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	425.0375
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations