Geometry & MOs

Info

ID:	277987
PubChem CID:	103832467
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	1.04
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1-amino-4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol

Drug info:

PubChemData

Smile

CCC[C@H](C1=NC(=NO1)C2=CC(=CC=C2)O)N

DOS

IR

Vibrations