Geometry & MOs

Info

ID:	131316
PubChem CID:	51189657
Reduced:	FON2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	3.1
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylphenyl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations