Geometry & MOs

Info

ID:	208631
PubChem CID:	80555700
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-164.55
Dipole, Da:	4.7
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)N)C(=O)NC2(CCOC2)C(=O)O

DOS

IR

Vibrations