Geometry & MOs

Info

ID:	285883
PubChem CID:	104135154
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	349.04259
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	4.46
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(6-bromo-5-methylpyridin-3-yl)amino]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(C)C2=C(C=C(C=C2)C)C)Cl

DOS

IR

Vibrations