Geometry & MOs

Info

ID:	210720
PubChem CID:	80845764
Reduced:	BrSN5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	56.83
Dipole, Da:	1.82
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(oxan-4-ylmethyl)pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NCCC2=CSC=N2)Br

DOS

IR

Vibrations