Geometry & MOs

Info

ID:	295835
PubChem CID:	117545425
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	3.74
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methylphenyl)oxetan-3-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations