Geometry & MOs

Info

ID:	157276
PubChem CID:	56422492
Reduced:	O3N4H20C25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	6.78
Dipole, Da:	3.28
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations