Geometry & MOs

Info

ID:	441162
PubChem CID:	135233375
Reduced:	F2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	459.18413
ΔH_f, kcal/mol:	0.39
Dipole, Da:	1.74
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methylmorpholin-4-yl)quinolin-6-yl] 2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CC(F)F)C3=CN4C(=CN=C4C=C3)C

DOS

IR

Vibrations