Geometry & MOs

Info

ID:	362874
PubChem CID:	127309703
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	399.172498
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	6.95
IP(EA), eV:	-9.02(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations