Geometry & MOs

Info

ID:	295908
PubChem CID:	117546917
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	23.54
Dipole, Da:	3.93
IP(EA), eV:	-9.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methylphenyl)oxetan-3-yl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1C(CO1)(C2=CC=CC=C2)C3=CC=CC(=C3)CN

DOS

IR

Vibrations