Geometry & MOs

Info

ID:	323779
PubChem CID:	126676156
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	291.162314
ΔH_f, kcal/mol:	-155.98
Dipole, Da:	2.57
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC(=CC=C2)OC)C(=O)N[C@@H]3CC3CO

DOS

IR

Vibrations