Geometry & MOs

Info

ID:	361995
PubChem CID:	127305341
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	3.67
IP(EA), eV:	-9.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=CC=C2Cl)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations