Geometry & MOs

Info

ID:	189046
PubChem CID:	77807937
Reduced:	F2O2N5H21C25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	7.94
IP(EA), eV:	-8.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,10b-dimethyl-1-pyrimidin-2-ylsulfanyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=CC(=CN(C3=O)C(C)C4=C(C=C(C=C4)F)F)C#N)OC

DOS

IR

Vibrations