Geometry & MOs

Info

ID:	252330
PubChem CID:	103110620
Reduced:	BrN2O4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	3.17
IP(EA), eV:	-9.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations