Geometry & MOs

Info

ID:	136419
PubChem CID:	52038421
Reduced:	OSN5C24H31 (1)
Stoich.:	ABC5D24E31 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	22.08
Dipole, Da:	6.33
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]oxymethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N2C(=CC(=N2)C)C)SCCC(=O)NC[C@H](C)C3=CC=CC=C3)C

DOS

IR

Vibrations