Geometry & MOs

Info

ID:	210272
PubChem CID:	80783659
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	1.26
IP(EA), eV:	-8.58(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N,2,5-trimethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCC(=O)NC)NCC

DOS

IR

Vibrations