Geometry & MOs

Info

ID:	133966
PubChem CID:	51621122
Reduced:	FO2N4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	466.08969
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	6.61
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-(4-bromophenyl)-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCCN(CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations