Geometry & MOs

Info

ID:	271176
PubChem CID:	103646758
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	211.148476
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	10.43
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylbutyl)-5-fluoro-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(CC)CNC1=C(N=C(N1C)C)[N+](=O)[O-]

DOS

IR

Vibrations