Geometry & MOs

Info

ID:	122596
PubChem CID:	50813826
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	458.206639
ΔH_f, kcal/mol:	62.53
Dipole, Da:	7.24
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC(=CC=C2)C(=O)N3CCN(CC3)CC4=NOC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations