Geometry & MOs

Info

ID:	291814
PubChem CID:	113584878
Reduced:	BrON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	263.057388
ΔH_f, kcal/mol:	19.32
Dipole, Da:	4.07
IP(EA), eV:	-9.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(1H-imidazol-5-ylmethylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NCC2=CN=CN2)Br

DOS

IR

Vibrations