Geometry & MOs

Info

ID:	294164
PubChem CID:	117429313
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	3.58
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCCC2)C3(CCC3)N=C=O

DOS

IR

Vibrations