Geometry & MOs

Info

ID:	291873
PubChem CID:	113585123
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	5.25
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(cyclopent-3-en-1-ylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(C=N1)NC2CC=CC2)Cl

DOS

IR

Vibrations