Geometry & MOs

Info

ID:	442489
PubChem CID:	135252383
Reduced:	FO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	363.02439
ΔH_f, kcal/mol:	-153.85
Dipole, Da:	4.85
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-fluorophenyl)-1-(4-iodopiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=CC(=C3)/C=C/C(=O)O)F)C(COC2(C)C)(C)C

DOS

IR

Vibrations