Geometry & MOs

Info

ID:	269529
PubChem CID:	103617854
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	238.10659
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	3.5
IP(EA), eV:	-9.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)Br)Cl)C(=O)N

DOS

IR

Vibrations