Geometry & MOs

Info

ID:	145645
PubChem CID:	53563624
Reduced:	N2F3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-270.9
Dipole, Da:	7.29
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxypyrazin-2-yl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C)OC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations