Geometry & MOs

Info

ID:	228508
PubChem CID:	87565044
Reduced:	ClFNOC9H9 (3)
Stoich.:	ABCDE9F9 (3)
Weight, g/mol:	450.084571
ΔH_f, kcal/mol:	-232.47
Dipole, Da:	5.41
IP(EA), eV:	-8.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-chloro-4-(cyclopropylmethoxy)-5-(trifluoromethoxy)phenoxy]naphthalen-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CC1N(C2CC2)C3CC(C3)CN4C5=CC(=CC(=C5C(C4=O)(C6=C(C=C(C=C6)Cl)Cl)O)C(F)(F)F)C(=O)N.Cl

DOS

IR

Vibrations