Geometry & MOs

Info

ID:	369736
PubChem CID:	127335170
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	3.99
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations