Geometry & MOs

Info

ID:	361986
PubChem CID:	127305332
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-73.07
Dipole, Da:	3.59
IP(EA), eV:	-9.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC(=CC=C2)Cl)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations