Geometry & MOs

Info

ID:	170952
PubChem CID:	75306060
Reduced:	ClSO2N3C6H14 (1)
Stoich.:	ABC2D3E6F14 (1)
Weight, g/mol:	410.156575
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	5.1
IP(EA), eV:	-8.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methoxyphenyl)-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C(CC(C(=O)O)N)CNC(=S)N.Cl

DOS

IR

Vibrations