Geometry & MOs

Info

ID:	290754
PubChem CID:	110009933
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	487.12444
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	4.48
IP(EA), eV:	-9.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\C)/C(=O)NC(C)(CCO)COC

DOS

IR

Vibrations