Geometry & MOs

Info

ID:	202858
PubChem CID:	79734789
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	4.46
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-4-methylpyridin-2-yl)-4-phenylbutanamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2=NC(=NO2)CSC3CCCC3

DOS

IR

Vibrations