Geometry & MOs

Info

ID:	423722
PubChem CID:	135120073
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	248.107339
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	3.15
IP(EA), eV:	-8.95(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[(6-methylpyridin-2-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC=CN3C4CC4)OCC1

DOS

IR

Vibrations