Geometry & MOs

Info

ID:	211048
PubChem CID:	80888286
Reduced:	SN6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	253.018894
ΔH_f, kcal/mol:	80.88
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-methyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SCC2CCCC2)N3C=CC=N3

DOS

IR

Vibrations