Geometry & MOs

Info

ID:	274695
PubChem CID:	103811103
Reduced:	ClFN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	9.02
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)morpholine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations