Geometry & MOs

Info

ID:	296359
PubChem CID:	117570058
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	6.5
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylanilino)propan-2-one

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=C1)OC)OC)C#N

DOS

IR

Vibrations