Geometry & MOs

Info

ID:	423678
PubChem CID:	135119974
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	4.64
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CC(C3)N4CCOCC4

DOS

IR

Vibrations