Geometry & MOs

Info

ID:	295899
PubChem CID:	117546781
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	30.97
Dipole, Da:	3.35
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,5-dimethylphenyl)oxetan-3-yl]aniline

Drug info:

PubChemData

Smile

C1C(CO1)(C2=CC=NC=C2)C3=CC(=CC=C3)N

DOS

IR

Vibrations