Geometry & MOs

Info

ID:	195840
PubChem CID:	78741717
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	393.202797
ΔH_f, kcal/mol:	-124.78
Dipole, Da:	7.84
IP(EA), eV:	-9.41(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)ethyl-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCNC(=O)C(C)OC(=O)C(C)OC1=CC=C(C=C1)C#N

DOS

IR

Vibrations