Geometry & MOs

Info

ID:	210268
PubChem CID:	80783253
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	2.0
IP(EA), eV:	-9.14(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COC1CCN(CC1)C2=NC(=NC(=N2)N)OC

DOS

IR

Vibrations