Geometry & MOs

Info

ID:	296620
PubChem CID:	117586038
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	4.82
IP(EA), eV:	-8.76(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)C2CCC2)NCCCO

DOS

IR

Vibrations