Geometry & MOs

Info

ID:	436536
PubChem CID:	135205052
Reduced:	ClO3N8H23C26 (1)
Stoich.:	AB3C8D23E26 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	54.28
Dipole, Da:	5.39
IP(EA), eV:	-9.23(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxy-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC2=NC=CN=C2C=C1)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=NN=N5)OC

DOS

IR

Vibrations