Geometry & MOs

Info

ID:	148705
PubChem CID:	53788374
Reduced:	OSCl2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	0.8
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dipyrrolidin-1-yl-4H-pyrimidin-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)Cl)S)Cl

DOS

IR

Vibrations