Geometry & MOs

Info

ID:	210239
PubChem CID:	80779683
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	7.51
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])NCC(C)O

DOS

IR

Vibrations