Geometry & MOs

Info

ID:	210532
PubChem CID:	80819277
Reduced:	SN5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	257.140723
ΔH_f, kcal/mol:	13.59
Dipole, Da:	4.13
IP(EA), eV:	-8.5(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[2-(dimethylamino)propyl]-2-N-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)NCC(C)N(C)C

DOS

IR

Vibrations