Geometry & MOs

Info

ID:	237625
PubChem CID:	92720054
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	5.49
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(1S)-1-hydroxy-2-(4-propylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2[C@H](C3=CC=CN3CC2=O)C(=O)N[C@H]4CCC[C@H]([C@@H]4C)C

DOS

IR

Vibrations