Geometry & MOs

Info

ID:	291844
PubChem CID:	113585018
Reduced:	BrO3N4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	-104.26
Dipole, Da:	5.78
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(4-hydroxypentan-2-ylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NCCOC(=O)N)Br

DOS

IR

Vibrations