Geometry & MOs

Info

ID:	131228
PubChem CID:	51177533
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	4.93
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations