Geometry & MOs

Info

ID:	137902
PubChem CID:	52281538
Reduced:	N3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	96.23
Dipole, Da:	2.92
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC[C@H](C2=CC=CC=C21)CNC3=NC=NC4=C3C=NN4

DOS

IR

Vibrations