Geometry & MOs

Info

ID:	220269
PubChem CID:	85177191
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	240.051047
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	4.49
IP(EA), eV:	-9.03(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-pyrido[1,2-a]pyrimidin-2-ylidenepropan-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC3C2C[NH2+]C3.[Cl-]

DOS

IR

Vibrations