Geometry & MOs

Info

ID:	332579
PubChem CID:	127250865
Reduced:	F2O3N5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	436.165917
ΔH_f, kcal/mol:	-104.94
Dipole, Da:	2.53
IP(EA), eV:	-9.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C=CC=N2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations