Geometry & MOs

Info

ID:	210250
PubChem CID:	80780675
Reduced:	N8C13H22 (1)
Stoich.:	A8B13C22 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	76.59
Dipole, Da:	3.61
IP(EA), eV:	-9.11(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)N(C)C)NCCN2C=CC=N2

DOS

IR

Vibrations