Geometry & MOs

Info

ID:	315562
PubChem CID:	126627683
Reduced:	O3N6C12H14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	3.82
IP(EA), eV:	-8.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1)NC2=CC(=NN=C2C(=O)N)N)OC

DOS

IR

Vibrations