Geometry & MOs

Info

ID:	122954
PubChem CID:	50828530
Reduced:	ClO4N5C24H26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	453.181232
ΔH_f, kcal/mol:	-63.22
Dipole, Da:	4.57
IP(EA), eV:	-8.63(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations