Geometry & MOs

Info

ID:	45543
PubChem CID:	10514751
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	4.63
IP(EA), eV:	-9.6(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-benzylspiro[cyclopropane-1,3'-isoindole]-1'-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H](N1C(=O)OCC2=CC=CC=C2)CO

DOS

IR

Vibrations