Geometry & MOs

Info

ID:	313735
PubChem CID:	126617363
Reduced:	ClFSO4N5H17C20 (1)
Stoich.:	ABCD4E5F17G20 (1)
Weight, g/mol:	362.160357
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	9.46
IP(EA), eV:	-9.15(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-(1-cyclopentylpyrazol-4-yl)pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NC(CO)CO)Cl)F

DOS

IR

Vibrations