Geometry & MOs

Info

ID:	370608
PubChem CID:	127339754
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	0.93
IP(EA), eV:	-8.72(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations