Geometry & MOs

Info

ID:	165681
PubChem CID:	74583121
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	377.204059
ΔH_f, kcal/mol:	40.71
Dipole, Da:	9.86
IP(EA), eV:	-7.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(3,4-difluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

C1C[NH+](CC1[S-])CC2=CC=CC=C2

DOS

IR

Vibrations