Geometry & MOs

Info

ID:	33089
PubChem CID:	7850955
Reduced:	FOH6C9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	3.4
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-naphthalen-1-yloxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations