Geometry & MOs

Info

ID:	210761
PubChem CID:	80852712
Reduced:	BrSN4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	281.167417
ΔH_f, kcal/mol:	87.08
Dipole, Da:	3.28
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)N)NCC3=C(C=CS3)Br

DOS

IR

Vibrations