Geometry & MOs

Info

ID:	13343
PubChem CID:	226304
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	3.6
IP(EA), eV:	-10.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetamido-2-cyano-4-pyridin-2-ylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=N1)(C#N)NC(=O)C

DOS

IR

Vibrations