Geometry & MOs

Info

ID:	208253
PubChem CID:	80508293
Reduced:	OF2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	3.86
IP(EA), eV:	-9.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-tert-butyl-4-methoxyphenoxy)pyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)OC2=C(C=C(C=C2)F)F)CC

DOS

IR

Vibrations