Geometry & MOs

Info

ID:	351592
PubChem CID:	127280484
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	8.99
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-5-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations