Geometry & MOs

Info

ID:	69910
PubChem CID:	47205740
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	4.12
IP(EA), eV:	-9.31(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(C(C)C)C(=O)NCCN1C=CN=C1

DOS

IR

Vibrations