Geometry & MOs

Info

ID:	405822
PubChem CID:	135075582
Reduced:	BrN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	3.86
IP(EA), eV:	-9.5(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-5-methoxy-1,2-dihydroacenaphthylene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=C[N+](=C1)[O-])Br

DOS

IR

Vibrations