Geometry & MOs

Info

ID:	210261
PubChem CID:	80782018
Reduced:	S2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	56.78
Dipole, Da:	3.47
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-cyclopropylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)N(C)CC2=CSC=C2

DOS

IR

Vibrations