Geometry & MOs

Info

ID:	269881
PubChem CID:	103619543
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	1.45
IP(EA), eV:	-9.05(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC2=NC(=NC(=C2)C)N

DOS

IR

Vibrations