Geometry & MOs

Info

ID:	171355
PubChem CID:	75365802
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	445.149924
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	1.41
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=C(C=C2)C(C)(C)O)C

DOS

IR

Vibrations