Geometry & MOs

Info

ID:	210516
PubChem CID:	80818821
Reduced:	SN5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	45.82
Dipole, Da:	4.12
IP(EA), eV:	-8.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)propyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1N(C)CC2=C(N=CS2)C)NCC

DOS

IR

Vibrations