Geometry & MOs

Info

ID:	188451
PubChem CID:	77719329
Reduced:	OF2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	3.94
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hydroxy-2-pyrrolidin-2-ylethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1N)CC2=CN=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations