Geometry & MOs

Info

ID:	250401
PubChem CID:	103096332
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	4.89
IP(EA), eV:	-10.08(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=CC(=N2)C)O

DOS

IR

Vibrations