Geometry & MOs

Info

ID:	352773
PubChem CID:	127283862
Reduced:	SO3N5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	6.17
IP(EA), eV:	-9.59(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(1,2,4-triazol-1-yl)piperidin-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)CN3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations