Geometry & MOs

Info

ID:	251249
PubChem CID:	103102452
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	7.36
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCOC1=CC=CC=C1C#N)CC(=O)N

DOS

IR

Vibrations