Geometry & MOs

Info

ID:	137658
PubChem CID:	52242142
Reduced:	ClN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	374.187995
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	4.79
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-[(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations