Geometry & MOs

Info

ID:	418917
PubChem CID:	135107115
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	333.131112
ΔH_f, kcal/mol:	-10.71
Dipole, Da:	6.75
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=NN=C(O2)N(C)C

DOS

IR

Vibrations