Geometry & MOs

Info

ID:	293620
PubChem CID:	117394527
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	9.07
Dipole, Da:	0.25
IP(EA), eV:	-8.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1-isocyanatocyclobutyl)phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CCOC1=C2C(=C(C=C1)C3(CCC3)CN)C=CC=N2

DOS

IR

Vibrations