Geometry & MOs

Info

ID:	188366
PubChem CID:	77705020
Reduced:	NOH9C10 (3)
Stoich.:	ABC9D10 (3)
Weight, g/mol:	466.225643
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	5.38
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-ethylphenoxy)methyl]-6-[1-(1H-imidazol-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C2=NC=CN2)OC3=C(C4=C(C=C3)C(=O)CCC4)COC5=CC=CC6=C5C=CN6

DOS

IR

Vibrations