Geometry & MOs

Info

ID:	332600
PubChem CID:	127250886
Reduced:	ClO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	445.151682
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	2.79
IP(EA), eV:	-9.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations