Geometry & MOs

Info

ID:	199083
PubChem CID:	79195804
Reduced:	O2S2N4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	3.15
IP(EA), eV:	-8.97(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(dimethylamino)methyl]phenyl]-2-methyl-3-(methylamino)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=S)N)S(=O)(=O)NC2=NC=CN2

DOS

IR

Vibrations