Geometry & MOs

Info

ID:	26721
PubChem CID:	794772
Reduced:	OSN2Cl3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	4.14
IP(EA), eV:	-9.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)N[C@H](C(Cl)(Cl)Cl)NC(=O)C1=CC=CS1

DOS

IR

Vibrations