Geometry & MOs

Info

ID:	149580
PubChem CID:	53789254
Reduced:	PO10C18H31 (1)
Stoich.:	AB10C18D31 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-522.08
Dipole, Da:	4.38
IP(EA), eV:	-10.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzyl-1,2,4-oxadiazol-5-yl)propan-2-imine

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(C(=O)O1)OP(=O)(O)O)O

DOS

IR

Vibrations