Geometry & MOs

Info

ID:	210398
PubChem CID:	80799881
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	296.086245
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	3.66
IP(EA), eV:	-8.84(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-ethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)C2=NC=NC(=C2)N

DOS

IR

Vibrations