Geometry & MOs

Info

ID:	200245
PubChem CID:	79371780
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	350.03177
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	4.79
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC2(C3C4=CC=CC=C4CN3)O)C=C1

DOS

IR

Vibrations