Geometry & MOs

Info

ID:	210533
PubChem CID:	80819278
Reduced:	ClN5C11H20 (1)
Stoich.:	AB5C11D20 (1)
Weight, g/mol:	265.226646
ΔH_f, kcal/mol:	15.29
Dipole, Da:	3.96
IP(EA), eV:	-8.52(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NCC(C)N(C)C)Cl

DOS

IR

Vibrations