Geometry & MOs

Info

ID:	291864
PubChem CID:	113585107
Reduced:	BrON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	4.33
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)(C)NC1=C(C(=O)N(N=C1)CCC)Br

DOS

IR

Vibrations