Geometry & MOs

Info

ID:	122957
PubChem CID:	50828533
Reduced:	O4N5C21H29 (1)
Stoich.:	A4B5C21D29 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	3.5
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)N(C)CCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations