Geometry & MOs

Info

ID:	125811
PubChem CID:	50939635
Reduced:	ClOF2N5C18H18 (1)
Stoich.:	ABC2D5E18F18 (1)
Weight, g/mol:	417.049189
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	1.88
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloropyridin-3-yl)methyl]-4-oxo-3-(2,4,6-trifluorophenyl)pyrido[1,2-a]pyrimidin-1-ium-2-olate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCCN2C(N=C(N=C2N)N)C3=C(C=C(C=C3)F)F)Cl

DOS

IR

Vibrations