Geometry & MOs

Info

ID:	268895
PubChem CID:	103601989
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	4.65
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-methylpropyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)CN(CC)C(=O)C1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations