Geometry & MOs

Info

ID:	145973
PubChem CID:	53619795
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-186.6
Dipole, Da:	1.83
IP(EA), eV:	-9.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CNC(=O)CC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations