Geometry & MOs

Info

ID:	210192
PubChem CID:	80773154
Reduced:	ON7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	37.42
Dipole, Da:	1.91
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NCC3=CC=CC=N3)N

DOS

IR

Vibrations