Geometry & MOs

Info

ID:	150728
PubChem CID:	53790423
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	271.051444
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	3.35
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-2,3-dihydro-1H-inden-1-yl)methyl methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2=CC=CC=C2N1C(=O)C(C)Br

DOS

IR

Vibrations