Geometry & MOs

Info

ID:	333626
PubChem CID:	127252178
Reduced:	OF3N3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	-116.7
Dipole, Da:	4.88
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C2=CN=CC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations