Geometry & MOs

Info

ID:	122956
PubChem CID:	50828532
Reduced:	FO4N5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	415.221954
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	6.6
IP(EA), eV:	-9.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methylpropyl)-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)N3CCOCC3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations