Geometry & MOs

Info

ID:	210487
PubChem CID:	80813613
Reduced:	SN7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	128.04
Dipole, Da:	4.09
IP(EA), eV:	-9.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2C=CC=N2)NCC3=CSC=C3

DOS

IR

Vibrations