Geometry & MOs

Info

ID:	349573
PubChem CID:	127275460
Reduced:	ClFN2O4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-157.27
Dipole, Da:	3.13
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-2-(2-fluorophenyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2=C3C(=CC=C2)OCO3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations