Geometry & MOs

Info

ID:	270708
PubChem CID:	103637781
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	229.104897
ΔH_f, kcal/mol:	58.11
Dipole, Da:	8.77
IP(EA), eV:	-9.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(CCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2CC2

DOS

IR

Vibrations