Geometry & MOs

Info

ID:	309869
PubChem CID:	126563384
Reduced:	FON4H17C26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	443.150601
ΔH_f, kcal/mol:	99.79
Dipole, Da:	6.35
IP(EA), eV:	-8.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-[(3-cyanopyridin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations