Geometry & MOs

Info

ID:	138727
PubChem CID:	52416506
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-151.23
Dipole, Da:	5.47
IP(EA), eV:	-10.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC(=O)CCN2C=CC(=O)NC2=O

DOS

IR

Vibrations