Geometry & MOs

Info

ID:	271945
PubChem CID:	103704123
Reduced:	FSN2O2C12H15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	193.101526
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	4.95
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-N-pent-4-ynylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations