Geometry & MOs

Info

ID:	295877
PubChem CID:	117546395
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	0.95
IP(EA), eV:	-8.35(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-propan-2-yloxyphenyl)oxetan-3-yl]pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2(COC2)C3CCCN3

DOS

IR

Vibrations