Geometry & MOs

Info

ID:	291860
PubChem CID:	113585094
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	6.78
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-methylbutan-2-ylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(COC)NC1=C(C(=O)N(N=C1)CC=C)Cl

DOS

IR

Vibrations