Geometry & MOs

Info

ID:	78650
PubChem CID:	49703422
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	6.99
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC(=O)C1=CC=C(C=C1)NC(=O)C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations