Geometry & MOs

Info

ID:	360176
PubChem CID:	127300817
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	0.43
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations