Geometry & MOs

Info

ID:	154310
PubChem CID:	56313723
Reduced:	ClO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	476.214759
ΔH_f, kcal/mol:	0.27
Dipole, Da:	5.91
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations