Geometry & MOs

Info

ID:	122785
PubChem CID:	50821362
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	490.188402
ΔH_f, kcal/mol:	18.37
Dipole, Da:	7.49
IP(EA), eV:	-8.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C)N3C=C(C(=N3)C)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations