Geometry & MOs

Info

ID:	350842
PubChem CID:	127279130
Reduced:	SN2O3C19H32 (1)
Stoich.:	AB2C3D19E32 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	4.43
IP(EA), eV:	-9.31(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyclobutylpyrrolidin-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)CN3CCCC3C4CCC4

DOS

IR

Vibrations