Geometry & MOs

Info

ID:	135445
PubChem CID:	51871854
Reduced:	ON4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	37.27
Dipole, Da:	7.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819432
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(5-methyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

Drug info:

PubChemData

Smile

CCCC1=NC=C(C=N1)C[NH+](C)CC2=CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations