Geometry & MOs

Info

ID:	64706
PubChem CID:	29203884
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	377.175084
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	4.47
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations