Geometry & MOs

Info

ID:	295900
PubChem CID:	117546807
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	3.57
Dipole, Da:	3.26
IP(EA), eV:	-8.55(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4,6-trimethylphenyl)oxetan-3-yl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2(COC2)C3=CC(=CC=C3)N

DOS

IR

Vibrations