Geometry & MOs

Info

ID:	59414
PubChem CID:	24857272
Reduced:	O2N3C28H37 (1)
Stoich.:	A2B3C28D37 (1)
Weight, g/mol:	506.21001
ΔH_f, kcal/mol:	56.19
Dipole, Da:	13.85
IP(EA), eV:	-8.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-4-[[5-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

Drug info:

PubChemData

Smile

C[N+](C)(CCCCC1=CC=CC=C1)CC2=NC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations