Geometry & MOs

Info

ID:	440219
PubChem CID:	135230131
Reduced:	NO2S2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	425.235479
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	4.41
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

CCCC(CC)SSC1=CC=CC(C=C1)(C)[N+](=O)[O-]

DOS

IR

Vibrations