Geometry & MOs

Info

ID:	188857
PubChem CID:	77775336
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	443.152431
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	9.1
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)-1,7a-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

C1CCNC(C1)(CCC2=CC3=C(N2)C=C(C=C3)CCC#N)C(=O)C4CCCN4C(=O)O

DOS

IR

Vibrations