Geometry & MOs

Info

ID:	64702
PubChem CID:	29203878
Reduced:	FON4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	377.175084
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	5.78
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations