Geometry & MOs

Info

ID:	426824
PubChem CID:	135154084
Reduced:	OS2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	435.201888
ΔH_f, kcal/mol:	82.07
Dipole, Da:	8.71
IP(EA), eV:	-9.42(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(pyridazin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)NC2=CC=CC=C2S(=NC#N)C(C)C

DOS

IR

Vibrations