Geometry & MOs

Info

ID:	434860
PubChem CID:	135175855
Reduced:	FSCl2N5H14C16 (1)
Stoich.:	ABC2D5E14F16 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	40.23
Dipole, Da:	2.9
IP(EA), eV:	-8.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C3C=C(C(=C(C3=NS2)F)C4=C(C=CC(=N4)N)Cl)Cl

DOS

IR

Vibrations