Geometry & MOs

Info

ID:	251243
PubChem CID:	103102435
Reduced:	O2F3N4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	-217.79
Dipole, Da:	4.97
IP(EA), eV:	-9.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-cyanophenyl)methyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=CC(=N1)C(F)(F)F)C(=O)N

DOS

IR

Vibrations