Geometry & MOs

Info

ID:	241098
PubChem CID:	93621811
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-98.58
Dipole, Da:	5.87
IP(EA), eV:	-9.28(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1-cyanopropan-2-yl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@@H](C1)C(=O)N[C@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations