Geometry & MOs

Info

ID:	417013
PubChem CID:	135091090
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	262.122989
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-(1-pyridin-4-ylpropyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C=CC=N2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations