Geometry & MOs

Info

ID:	55373
PubChem CID:	17395303
Reduced:	NF2O4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	364.085719
ΔH_f, kcal/mol:	-196.49
Dipole, Da:	5.21
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)OCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations