Geometry & MOs

Info

ID:	140278
PubChem CID:	52673663
Reduced:	BrO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	435.172498
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	2.91
IP(EA), eV:	-8.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)[C@@H]3CCN(C3=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations