Geometry & MOs

Info

ID:	273998
PubChem CID:	103806420
Reduced:	ClION2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	376.04479
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	3.67
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)I)N

DOS

IR

Vibrations