Geometry & MOs

Info

ID:	133815
PubChem CID:	51593301
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	41.78
Dipole, Da:	2.33
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=C3C=CC=NC3=CC(=N2)C4=CC=CC=N4

DOS

IR

Vibrations