Geometry & MOs

Info

ID:	157381
PubChem CID:	56423143
Reduced:	O3N8H20C21 (1)
Stoich.:	A3B8C20D21 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	5.77
Dipole, Da:	3.18
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations