Geometry & MOs

Info

ID:	395304
PubChem CID:	135025145
Reduced:	NOCl2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	334.048665
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	6.1
IP(EA), eV:	-8.34(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-6-methyl-5H-benzo[7]annulen-7-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1(COC(=C(Cl)Cl)N1)C

DOS

IR

Vibrations