Geometry & MOs

Info

ID:	276418
PubChem CID:	103823178
Reduced:	BrN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	12.05
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-(pyridazin-3-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Br)C(=O)NC

DOS

IR

Vibrations