Geometry & MOs

Info

ID:	372551
PubChem CID:	131299597
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	6.54
IP(EA), eV:	-8.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-5-methylbenzoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)OC)O)C(=O)C#N

DOS

IR

Vibrations