Geometry & MOs

Info

ID:	59718
PubChem CID:	24894797
Reduced:	INO3C30H34 (1)
Stoich.:	ABC3D30E34 (1)
Weight, g/mol:	237.128427
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	29.34
IP(EA), eV:	-5.36(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-phenylbutyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2O)C(=O)OC3[C@H]4CCC3C[N+]4(C)[C@@H](C)C5=CC=CC=C5.[I-]

DOS

IR

Vibrations