Geometry & MOs

Info

ID:	252328
PubChem CID:	103110601
Reduced:	BrN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	6.15
Dipole, Da:	5.04
IP(EA), eV:	-10.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1-cyanoethanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations