Geometry & MOs

Info

ID:	251231
PubChem CID:	103102378
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	4.02
IP(EA), eV:	-10.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-cyano-N-ethylbutanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations