Geometry & MOs

Info

ID:	325990
PubChem CID:	126685922
Reduced:	ClFO2N6C21H24 (1)
Stoich.:	ABC2D6E21F24 (1)
Weight, g/mol:	312.03347
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	5.01
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(3-morpholin-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

COCC(=O)NC1CCCC[C@H]1CNC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations