Geometry & MOs

Info

ID:	371545
PubChem CID:	127347086
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	5.91
IP(EA), eV:	-9.0(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCC(C2)CN3CCCC3

DOS

IR

Vibrations