Geometry & MOs

Info

ID:	251247
PubChem CID:	103102448
Reduced:	ON3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	1.22
IP(EA), eV:	-9.3(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-cyanophenyl)butanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(C)C#N

DOS

IR

Vibrations