Geometry & MOs

Info

ID:	257328
PubChem CID:	103145309
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	306.051968
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	4.69
IP(EA), eV:	-9.73(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2=CC(=NC=C2)F

DOS

IR

Vibrations