Geometry & MOs

Info

ID:	68643
PubChem CID:	46508822
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	7.68
Dipole, Da:	4.27
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations