Geometry & MOs

Info

ID:	369735
PubChem CID:	127335169
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	15.94
Dipole, Da:	9.03
IP(EA), eV:	-8.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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(C=C3)NC(=C4C)C

DOS

IR

Vibrations