Geometry & MOs

Info

ID:	369557
PubChem CID:	127334612
Reduced:	O3N6C14H18 (1)
Stoich.:	A3B6C14D18 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	5.35
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=CC=C2)NC(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations