Geometry & MOs

Info

ID:	252452
PubChem CID:	103111475
Reduced:	BrO2N4C14H23 (1)
Stoich.:	AB2C4D14E23 (1)
Weight, g/mol:	342.06914
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	8.42
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-6-oxo-1-prop-2-enylpyridazin-4-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C(=O)N(N=C1)CC(C)C)Br

DOS

IR

Vibrations