Geometry & MOs

Info

ID:	145705
PubChem CID:	53578325
Reduced:	SN4O5C12H16 (1)
Stoich.:	AB4C5D12E16 (1)
Weight, g/mol:	349.170274
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(O1)C(=O)NC2=NN(C=C2)CCOC

DOS

IR

Vibrations