Geometry & MOs

Info

ID:	313706
PubChem CID:	126617308
Reduced:	ClFSO3N5H17C20 (1)
Stoich.:	ABCD3E5F17G20 (1)
Weight, g/mol:	369.133808
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	6.08
IP(EA), eV:	-8.9(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations