Geometry & MOs

Info

ID:	228473
PubChem CID:	87564708
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	390.107894
ΔH_f, kcal/mol:	-103.28
Dipole, Da:	2.54
IP(EA), eV:	-9.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-ethoxy-3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCCCC(=O)C(CN)O

DOS

IR

Vibrations