Geometry & MOs

Info

ID:	210706
PubChem CID:	80843187
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	9.57
IP(EA), eV:	-8.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CCC(C)(CNC1=CC(=CC(=C1)NCC)[N+](=O)[O-])O

DOS

IR

Vibrations