Geometry & MOs

Info

ID:	419201
PubChem CID:	135107730
Reduced:	O5N6C28H40 (1)
Stoich.:	A5B6C28D40 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	8.97
IP(EA), eV:	-9.05(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-methylsulfanylpyrimidine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CCC3=CC=NN3C

DOS

IR

Vibrations