Geometry & MOs

Info

ID:	251232
PubChem CID:	103102379
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	2.52
IP(EA), eV:	-10.01(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-3-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations