Geometry & MOs

Info

ID:	187128
PubChem CID:	77533734
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	41.93
Dipole, Da:	2.62
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-methyl-3-(2-methylsulfonylpyridin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NCC3=CC(=CC=C3)C4=CN=C(C(=N4)C(=O)N)N

DOS

IR

Vibrations