Geometry & MOs

Info

ID:	130060
PubChem CID:	51074808
Reduced:	ClNF2O3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	306.097998
ΔH_f, kcal/mol:	-169.47
Dipole, Da:	2.37
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-naphthyridin-1-yl-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=COC(=C1)COCCCNC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations