Geometry & MOs

Info

ID:	296621
PubChem CID:	117586040
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	3.5
IP(EA), eV:	-9.03(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2=CC=CN2)NCCCO

DOS

IR

Vibrations