Geometry & MOs

Info

ID:	269476
PubChem CID:	103617672
Reduced:	NOC3F3H4 (2)
Stoich.:	ABC3D3E4 (2)
Weight, g/mol:	272.209993
ΔH_f, kcal/mol:	-417.58
Dipole, Da:	3.26
IP(EA), eV:	-10.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations