Geometry & MOs

Info

ID:	295903
PubChem CID:	117546847
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	30.61
Dipole, Da:	3.46
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-ethylphenyl)oxetan-3-yl]aniline

Drug info:

PubChemData

Smile

C1C(CO1)(C2=CC=C(C=C2)N)C3=CC=CC=N3

DOS

IR

Vibrations