Geometry & MOs

Info

ID:	122952
PubChem CID:	50828437
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	467.172417
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	3.06
IP(EA), eV:	-9.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylphenyl)-1-methyl-1-[2-[5-[4-(pyrrolidine-1-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)NC4CCCCC4

DOS

IR

Vibrations