Geometry & MOs

Info

ID:	121751
PubChem CID:	50780112
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	4.3
IP(EA), eV:	-8.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(C(=N2)C(=O)NC3=C(C=CC(=C3)OC)OC)OC

DOS

IR

Vibrations