Geometry & MOs

Info

ID:	371670
PubChem CID:	131270267
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	5.54
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-4,5-dimethylbenzoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)OC)C)C(=O)C#N

DOS

IR

Vibrations