Geometry & MOs

Info

ID:	291843
PubChem CID:	113585016
Reduced:	BrO3N4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	318.03275
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	5.46
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]ethyl carbamate

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NCCOC(=O)N)Br

DOS

IR

Vibrations