Geometry & MOs

Info

ID:	210763
PubChem CID:	80852751
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	57.08
Dipole, Da:	3.32
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)C2=NC(=NC=C2Cl)NC

DOS

IR

Vibrations