Geometry & MOs

Info

ID:	286770
PubChem CID:	104222327
Reduced:	SN4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	296.203468
ΔH_f, kcal/mol:	17.32
Dipole, Da:	1.2
IP(EA), eV:	-8.45(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)N(C)C(CC)CSC

DOS

IR

Vibrations