Geometry & MOs

Info

ID:	274212
PubChem CID:	103807737
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	6.53
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CN(CCC1OCCCN)C(=O)C2=CC(=O)NC=C2

DOS

IR

Vibrations