Geometry & MOs

Info

ID:	349572
PubChem CID:	127275459
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	392.093913
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	2.7
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NCC2=C3C(=CC=C2)OCO3)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations