Geometry & MOs

Info

ID:	178075
PubChem CID:	76272890
Reduced:	F2N3O6H15C18 (1)
Stoich.:	A2B3C6D15E18 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-224.36
Dipole, Da:	2.58
IP(EA), eV:	-9.64(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-[2-[(3-methylbenzoyl)amino]propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1=CC(=CC(=C1)F)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations