Geometry & MOs

Info

ID:	56077
PubChem CID:	17404235
Reduced:	ClON2F3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	316.043712
ΔH_f, kcal/mol:	-214.05
Dipole, Da:	6.91
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(F)(F)F)Cl

DOS

IR

Vibrations