Geometry & MOs

Info

ID:	309861
PubChem CID:	126562970
Reduced:	FN3O4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	3.25
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[2-[3-[(4-methylmorpholin-2-yl)methoxyimino]azetidin-1-yl]pyrimidin-5-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C1=C(N=CC(=C1)C2=CC=CC(=C2F)CO)N3CC(=NOC)C3)OC4CCCCO4

DOS

IR

Vibrations