Geometry & MOs

Info

ID:	309837
PubChem CID:	126561805
Reduced:	FN4O6C30H33 (1)
Stoich.:	AB4C6D30E33 (1)
Weight, g/mol:	430.201634
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	5.77
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-1-[5-[2-fluoro-3-(methoxymethyl)phenyl]pyrimidin-2-yl]azetidin-3-imine

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC(COC(=O)C2=CC=CC=C2)CON=C3CN(C3)C4=NC=C(C=N4)C5=CC=CC(=C5F)CO

DOS

IR

Vibrations