Geometry & MOs

Info

ID:	133989
PubChem CID:	51622923
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	390.174843
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	9.01
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(4-chloro-2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)N2CCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations