Geometry & MOs

Info

ID:	294163
PubChem CID:	117429304
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	2.93
IP(EA), eV:	-8.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-isocyanatocyclobutyl)-4-methylphenyl]piperidine

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C3(CCCCC3)CN)C=CC=N2

DOS

IR

Vibrations