Geometry & MOs

Info

ID:	64704
PubChem CID:	29203880
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	377.175084
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	4.37
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-3-(nitromethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)[C@@H]1CC(=O)N(C1)C2=CC=C(C=C2)C

DOS

IR

Vibrations