Geometry & MOs

Info

ID:	137660
PubChem CID:	52242282
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	390.158444
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N(C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations