Geometry & MOs

Info

ID:	211411
PubChem CID:	80945303
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	303.080826
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	2.88
IP(EA), eV:	-8.52(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1,1-dioxothian-3-yl)-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N(C)C(C)C)NCC

DOS

IR

Vibrations