Geometry & MOs

Info

ID:	406666
PubChem CID:	135078309
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	5.1
IP(EA), eV:	-9.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[4-methyl-2-(2-methylpropanoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](N2O)C#N)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations