Geometry & MOs

Info

ID:	149015
PubChem CID:	53788686
Reduced:	NCl2O3H10C12 (2)
Stoich.:	AB2C3D10E12 (2)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-149.64
Dipole, Da:	7.39
IP(EA), eV:	-9.06(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[butyl(propyl)amino]ethyl]-7-hydroxy-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)OC2=CC=C(C=C2)OC3=CC=C(C=C3)C([C@@](C(=O)O)(N(Cl)Cl)Cl)Cl)N)O

DOS

IR

Vibrations