Geometry & MOs

Info

ID:	369775
PubChem CID:	127335259
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	31.84
Dipole, Da:	5.08
IP(EA), eV:	-8.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations