Geometry & MOs

Info

ID:	210248
PubChem CID:	80780454
Reduced:	ClON5C7H12 (1)
Stoich.:	ABC5D7E12 (1)
Weight, g/mol:	244.109089
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.43
IP(EA), eV:	-9.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CO)NC1=NC(=NC(=N1)N)Cl

DOS

IR

Vibrations