Geometry & MOs

Info

ID:	295904
PubChem CID:	117546856
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	8.3
Dipole, Da:	4.79
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2(COC2)C3=CC=C(C=C3)N

DOS

IR

Vibrations