Geometry & MOs

Info

ID:	223456
PubChem CID:	85335069
Reduced:	NO3F4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	367.069924
ΔH_f, kcal/mol:	-260.33
Dipole, Da:	3.03
IP(EA), eV:	-8.43(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-10-(2-cyclopropylethyl)-10-(trifluoromethyl)pyrimido[5,4-b]quinolin-4-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)C=CC3=C(C=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations