Geometry & MOs

Info

ID:	331159
PubChem CID:	127248566
Reduced:	ClO4N5C20H22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	431.136032
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	3.34
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations