Geometry & MOs

Info

ID:	323542
PubChem CID:	126675354
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-136.14
Dipole, Da:	3.61
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC[C@H]1C[C@@H]1C(C)[C@H](C)CC(=O)C2=CN(C(=O)C(=C2)C(=O)NC)CC3=CC=CC=C3

DOS

IR

Vibrations