Geometry & MOs

Info

ID:	142998
PubChem CID:	53131102
Reduced:	ClO2N6H17C22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	418.094501
ΔH_f, kcal/mol:	100.24
Dipole, Da:	3.5
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-5-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC4=NC(=NO4)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations