Geometry & MOs

Info

ID:	211030
PubChem CID:	80886289
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	9.28
Dipole, Da:	2.24
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-6-propan-2-ylsulfanyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1SC(C)C)NC

DOS

IR

Vibrations