Geometry & MOs

Info

ID:	291811
PubChem CID:	113584870
Reduced:	BrON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	17.16
Dipole, Da:	5.78
IP(EA), eV:	-8.99(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(cyclohex-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

C1CC1CCNC2=C(C(=O)N(N=C2)CC3CC3)Br

DOS

IR

Vibrations