Geometry & MOs

Info

ID:	352799
PubChem CID:	127283888
Reduced:	SN3O3C20H35 (1)
Stoich.:	AB3C3D20E35 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	3.82
IP(EA), eV:	-8.75(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCCC3CN4CCCC4

DOS

IR

Vibrations