Geometry & MOs

Info

ID:	172170
PubChem CID:	75474960
Reduced:	ClN3O5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	399.109817
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	2.11
IP(EA), eV:	-9.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCOCC3C4=NOC(=N4)COC

DOS

IR

Vibrations