Geometry & MOs

Info

ID:	286768
PubChem CID:	104222322
Reduced:	SN4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	280.172168
ΔH_f, kcal/mol:	16.39
Dipole, Da:	2.34
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)N(C)CCSC

DOS

IR

Vibrations