Geometry & MOs

Info

ID:	293617
PubChem CID:	117394489
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	1.47
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-isocyanatocyclopentyl)phenyl]-1-methylazetidine

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=CC(=C2)CC3CCCCN3

DOS

IR

Vibrations