Geometry & MOs

Info

ID:	372831
PubChem CID:	131305561
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	5.46
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-6-chloro-5-methoxy-2,3-dihydroinden-1-yl)methanol

Drug info:

PubChemData

Smile

C1C(COC2=CC(=CC(=C21)[N+](=O)[O-])Br)N

DOS

IR

Vibrations